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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 02:52:36 UTC

Update Date

2021-09-24 02:52:36 UTC

HMDB ID

HMDB0303567

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Croscarmellose

Description

Food additive. Stabiliser, thickener, moisture control agent, emulsifier. Indirect additive arising by migration from cotton fabrics used in food packaging. Croscarmellose sodium also resolves formulators' concerns over long-term functional stability, reduced effectiveness at high tablet hardness levels, and similar problems associated with other products developed to enhance drug dissolution. Croscarmellose sodium is a very commonly used pharmaceutical additive approved by the U.S. Food and Drug Administration (FDA). Its purpose in most tablets - including dietary supplements - is to assist the tablet in disintegrating in the intestinal tract at the required location. If a tablet disintegrating agent is not included, the tablet could disintegrate too slowly, or in the wrong part of the intestine or not at all, thereby reducing the efficacy of the active ingredients.; Croscarmellose sodium is an internally cross-linked sodium carboxymethylcellulose for use as a disintegrant in pharmaceutical formulations.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0303567
     RDKit          3D
Croscarmellose
 32 30  0  0  0  0  0  0  0  0999 V2000
   -0.9147   -0.2422    0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648    0.2470   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777    1.1578   -0.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5306   -0.3372    0.4089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8605    0.0742    1.0238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8627    0.7445    0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314    0.0922    0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525   -1.2983    0.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9692    0.5003   -0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    0.1546   -1.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614   -0.2232   -0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486   -1.6084   -0.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5603    0.2899   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5368    1.6668   -0.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010   -0.3302    0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316    0.0743    1.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2961   -1.0238   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8293   -0.5892    1.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.5977    0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3256    0.1899    0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9316    1.8157    0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9351    0.3522    1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718   -1.4460    0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162    1.5745   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.7529   -1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3388    0.0523   -2.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781   -1.9666   -1.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3949   -0.0100   -1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    2.0530    0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -1.4271    0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572    0.0298    1.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9156   -0.4116    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 13 28  1  0
 14 29  1  0
 15 30  1  0
 15 31  1  0
 16 32  1  0
M  END


  Mrv1533007131513522D          

 16 14  0  0  0  0            999 V2000
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6239    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2114   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6239   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3864   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303567

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(O)=O.OCC(O)C(O)C(O)C(O)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)

> <INCHI_KEY>
VJHCJDRQFCCTHL-UHFFFAOYSA-N

> <FORMULA>
C8H16O8

> <MOLECULAR_WEIGHT>
240.208

> <EXACT_MASS>
240.084517475

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
16.242510253920898

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3,4,5,6-pentahydroxyhexanal; acetic acid

> <ALOGPS_LOGP>
-2.41

> <JCHEM_LOGP>
-3.5683605629999993

> <ALOGPS_LOGS>
0.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.074417074125122

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.256455078919489

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974219876255926

> <JCHEM_POLAR_SURFACE_AREA>
118.22000000000001

> <JCHEM_REFRACTIVITY>
37.3456

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.61e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
acetic acid; dextrose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0303567
     RDKit          3D
Croscarmellose
 32 30  0  0  0  0  0  0  0  0999 V2000
   -0.9147   -0.2422    0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648    0.2470   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777    1.1578   -0.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5306   -0.3372    0.4089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8605    0.0742    1.0238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8627    0.7445    0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314    0.0922    0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525   -1.2983    0.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9692    0.5003   -0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    0.1546   -1.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614   -0.2232   -0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486   -1.6084   -0.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5603    0.2899   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5368    1.6668   -0.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010   -0.3302    0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316    0.0743    1.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2961   -1.0238   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8293   -0.5892    1.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.5977    0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3256    0.1899    0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9316    1.8157    0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9351    0.3522    1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718   -1.4460    0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162    1.5745   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.7529   -1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3388    0.0523   -2.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781   -1.9666   -1.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3949   -0.0100   -1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    2.0530    0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -1.4271    0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572    0.0298    1.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9156   -0.4116    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 13 28  1  0
 14 29  1  0
 15 30  1  0
 15 31  1  0
 16 32  1  0
M  END

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0      -3.334   0.385   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.334  -0.385   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.001  -0.385   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.001   0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.667   0.385   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.667  -0.385   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -4.668  -0.385   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       4.668   0.385   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -2.001  -1.925   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       2.001   1.925   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -0.667   1.925   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       0.667  -1.925   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.498   1.334   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.728  -0.000   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      10.498  -1.334   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       8.188  -0.000   0.000  0.00  0.00           O+0
CONECT    1    3    7                                                       
CONECT    2    4    8                                                       
CONECT    3    1    5    9                                                  
CONECT    4    2    6   10                                                  
CONECT    5    3    6   11                                                  
CONECT    6    4    5   12                                                  
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    4                                                            
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13   14                                                            
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   28    0
END

COMPND    HMDB0303567
HETATM    1  C1  UNL     1      -0.915  -0.242   0.472  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.365   0.247  -0.062  1.00  0.00           C  
HETATM    3  O1  UNL     1       0.478   1.158  -0.916  1.00  0.00           O  
HETATM    4  O2  UNL     1       1.531  -0.337   0.409  1.00  0.00           O  
HETATM    5  O3  UNL     1      -3.861   0.074   1.024  1.00  0.00           O  
HETATM    6  C3  UNL     1      -2.863   0.744   0.955  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.531   0.092   0.812  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.753  -1.298   0.786  1.00  0.00           O  
HETATM    9  C5  UNL     1      -0.969   0.500  -0.527  1.00  0.00           C  
HETATM   10  O5  UNL     1      -1.970   0.155  -1.464  1.00  0.00           O  
HETATM   11  C6  UNL     1       0.261  -0.223  -0.955  1.00  0.00           C  
HETATM   12  O6  UNL     1       0.149  -1.608  -0.956  1.00  0.00           O  
HETATM   13  C7  UNL     1       1.560   0.290  -0.404  1.00  0.00           C  
HETATM   14  O7  UNL     1       1.537   1.667  -0.413  1.00  0.00           O  
HETATM   15  C8  UNL     1       2.001  -0.330   0.886  1.00  0.00           C  
HETATM   16  O8  UNL     1       3.332   0.074   1.191  1.00  0.00           O  
HETATM   17  H1  UNL     1      -1.296  -1.024  -0.201  1.00  0.00           H  
HETATM   18  H2  UNL     1      -0.829  -0.589   1.529  1.00  0.00           H  
HETATM   19  H3  UNL     1      -1.659   0.598   0.416  1.00  0.00           H  
HETATM   20  H4  UNL     1       2.326   0.190   0.743  1.00  0.00           H  
HETATM   21  H5  UNL     1      -2.932   1.816   0.998  1.00  0.00           H  
HETATM   22  H6  UNL     1      -0.935   0.352   1.678  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.572  -1.446   0.239  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.816   1.574  -0.545  1.00  0.00           H  
HETATM   25  H9  UNL     1      -1.800  -0.753  -1.803  1.00  0.00           H  
HETATM   26  H10 UNL     1       0.339   0.052  -2.085  1.00  0.00           H  
HETATM   27  H11 UNL     1       0.878  -1.967  -1.543  1.00  0.00           H  
HETATM   28  H12 UNL     1       2.395  -0.010  -1.150  1.00  0.00           H  
HETATM   29  H13 UNL     1       2.230   2.053   0.165  1.00  0.00           H  
HETATM   30  H14 UNL     1       2.047  -1.427   0.849  1.00  0.00           H  
HETATM   31  H15 UNL     1       1.357   0.030   1.713  1.00  0.00           H  
HETATM   32  H16 UNL     1       3.916  -0.412   0.551  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    3    4
CONECT    4   20
CONECT    5    6    6
CONECT    6    7   21
CONECT    7    8    9   22
CONECT    8   23
CONECT    9   10   11   24
CONECT   10   25
CONECT   11   12   13   26
CONECT   12   27
CONECT   13   14   15   28
CONECT   14   29
CONECT   15   16   30   31
CONECT   16   32
END

HMDB0303567
     RDKit          3D
Croscarmellose
 32 30  0  0  0  0  0  0  0  0999 V2000
   -0.9147   -0.2422    0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648    0.2470   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777    1.1578   -0.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5306   -0.3372    0.4089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8605    0.0742    1.0238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8627    0.7445    0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314    0.0922    0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525   -1.2983    0.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9692    0.5003   -0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    0.1546   -1.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614   -0.2232   -0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486   -1.6084   -0.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5603    0.2899   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5368    1.6668   -0.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010   -0.3302    0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316    0.0743    1.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2961   -1.0238   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8293   -0.5892    1.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.5977    0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3256    0.1899    0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9316    1.8157    0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9351    0.3522    1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718   -1.4460    0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162    1.5745   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.7529   -1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3388    0.0523   -2.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781   -1.9666   -1.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3949   -0.0100   -1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    2.0530    0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -1.4271    0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572    0.0298    1.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9156   -0.4116    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 13 28  1  0
 14 29  1  0
 15 30  1  0
 15 31  1  0
 16 32  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Croscarmellose	Kegg
Carboxymethylcellulose	Kegg
CMC	Kegg
Intrasite gel	Kegg
2,3,4,5,6-Pentahydroxyhexanal; acetate	Generator
Aquacel	MeSH
Aquaplast	MeSH
Carboxymethyl cellulose	MeSH
Carboxymethylcellulose sodium	MeSH
Carboxymethylcellulose, sodium	MeSH
Cellolax	MeSH
Cellulose, carboxymethyl	MeSH
Cethylose	MeSH
Croscarmellose sodium	MeSH
Polycell	MeSH
Ruspol	MeSH
Sodium carboxymethylcellulose	MeSH
Sodium, carboxymethylcellulose	MeSH
Sodium, carmellose	MeSH
Sodium, croscarmellose	MeSH
Carmellose sodium	MeSH

Chemical Formula

C₈H₁₆O₈

Average Molecular Weight

240.208

Monoisotopic Molecular Weight

240.084517475

IUPAC Name

2,3,4,5,6-pentahydroxyhexanal; acetic acid

Traditional Name

acetic acid; dextrose

CAS Registry Number

Not Available

SMILES

CC(O)=O.OCC(O)C(O)C(O)C(O)C=O

InChI Identifier

InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)

InChI Key

VJHCJDRQFCCTHL-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
Medium-chain aldehyde
Beta-hydroxy aldehyde
Alpha-hydroxyaldehyde
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Aldehyde
Primary alcohol
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Ontology

Physiological effect

Organoleptic effect

Odor

odorless

Disposition

Not Available

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.4	ALOGPS
logP	-3.6	ChemAxon
logS	0.16	ALOGPS
pKa (Strongest Acidic)	12.26	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	118.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	37.35 m³·mol⁻¹	ChemAxon
Polarizability	16.24 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	154.013	32859911
AllCCS	[M+H-H2O]+	150.556	32859911
AllCCS	[M+Na]+	158.145	32859911
AllCCS	[M+NH4]+	157.222	32859911
AllCCS	[M-H]-	145.981	32859911
AllCCS	[M+Na-2H]-	146.925	32859911
AllCCS	[M+HCOO]-	148.049	32859911
DeepCCS	[M+H]+	145.099	30932474
DeepCCS	[M-H]-	142.703	30932474
DeepCCS	[M-2H]-	176.89	30932474
DeepCCS	[M+Na]+	151.548	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Croscarmellose,2TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C=O	1850.8	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C=O	1678.0	Standard non polar	33892256
Croscarmellose,2TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C=O	2536.6	Standard polar	33892256
Croscarmellose,2TMS,isomer #10	C[Si](C)(C)OC(C(O)C=O)C(O[Si](C)(C)C)C(O)CO	1811.7	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #10	C[Si](C)(C)OC(C(O)C=O)C(O[Si](C)(C)C)C(O)CO	1633.5	Standard non polar	33892256
Croscarmellose,2TMS,isomer #10	C[Si](C)(C)OC(C(O)C=O)C(O[Si](C)(C)C)C(O)CO	2410.1	Standard polar	33892256
Croscarmellose,2TMS,isomer #11	C[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C)C(O)CO	1834.2	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #11	C[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C)C(O)CO	1643.7	Standard non polar	33892256
Croscarmellose,2TMS,isomer #11	C[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C)C(O)CO	2439.1	Standard polar	33892256
Croscarmellose,2TMS,isomer #12	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O)CO	1875.0	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #12	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O)CO	1715.6	Standard non polar	33892256
Croscarmellose,2TMS,isomer #12	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O)CO	2579.7	Standard polar	33892256
Croscarmellose,2TMS,isomer #13	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)C(O)CO	1846.8	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #13	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)C(O)CO	1636.4	Standard non polar	33892256
Croscarmellose,2TMS,isomer #13	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)C(O)CO	2388.0	Standard polar	33892256
Croscarmellose,2TMS,isomer #14	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O)CO	1920.9	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #14	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O)CO	1708.2	Standard non polar	33892256
Croscarmellose,2TMS,isomer #14	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O)CO	2584.2	Standard polar	33892256
Croscarmellose,2TMS,isomer #15	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O)CO	1957.6	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #15	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O)CO	1717.1	Standard non polar	33892256
Croscarmellose,2TMS,isomer #15	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O)CO	2689.4	Standard polar	33892256
Croscarmellose,2TMS,isomer #2	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C=O	1841.3	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #2	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C=O	1669.9	Standard non polar	33892256
Croscarmellose,2TMS,isomer #2	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C=O	2468.9	Standard polar	33892256
Croscarmellose,2TMS,isomer #3	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C=O	1867.5	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #3	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C=O	1668.6	Standard non polar	33892256
Croscarmellose,2TMS,isomer #3	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C=O	2458.9	Standard polar	33892256
Croscarmellose,2TMS,isomer #4	C[Si](C)(C)OCC(O)C(O)C(O)C(C=O)O[Si](C)(C)C	1883.3	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #4	C[Si](C)(C)OCC(O)C(O)C(O)C(C=O)O[Si](C)(C)C	1680.1	Standard non polar	33892256
Croscarmellose,2TMS,isomer #4	C[Si](C)(C)OCC(O)C(O)C(O)C(C=O)O[Si](C)(C)C	2475.0	Standard polar	33892256
Croscarmellose,2TMS,isomer #5	C[Si](C)(C)OC=C(O)C(O)C(O)C(O)CO[Si](C)(C)C	1885.1	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #5	C[Si](C)(C)OC=C(O)C(O)C(O)C(O)CO[Si](C)(C)C	1756.9	Standard non polar	33892256
Croscarmellose,2TMS,isomer #5	C[Si](C)(C)OC=C(O)C(O)C(O)C(O)CO[Si](C)(C)C	2643.6	Standard polar	33892256
Croscarmellose,2TMS,isomer #6	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)C=O	1824.0	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #6	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)C=O	1641.9	Standard non polar	33892256
Croscarmellose,2TMS,isomer #6	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)C=O	2466.6	Standard polar	33892256
Croscarmellose,2TMS,isomer #7	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)C=O	1865.2	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #7	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)C=O	1641.8	Standard non polar	33892256
Croscarmellose,2TMS,isomer #7	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)C=O	2443.3	Standard polar	33892256
Croscarmellose,2TMS,isomer #8	C[Si](C)(C)OC(C=O)C(O)C(O)C(CO)O[Si](C)(C)C	1886.2	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #8	C[Si](C)(C)OC(C=O)C(O)C(O)C(CO)O[Si](C)(C)C	1654.7	Standard non polar	33892256
Croscarmellose,2TMS,isomer #8	C[Si](C)(C)OC(C=O)C(O)C(O)C(CO)O[Si](C)(C)C	2458.7	Standard polar	33892256
Croscarmellose,2TMS,isomer #9	C[Si](C)(C)OC=C(O)C(O)C(O)C(CO)O[Si](C)(C)C	1879.9	Semi standard non polar	33892256
Croscarmellose,2TMS,isomer #9	C[Si](C)(C)OC=C(O)C(O)C(O)C(CO)O[Si](C)(C)C	1727.8	Standard non polar	33892256
Croscarmellose,2TMS,isomer #9	C[Si](C)(C)OC=C(O)C(O)C(O)C(CO)O[Si](C)(C)C	2608.7	Standard polar	33892256
Croscarmellose,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C=O	1875.3	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C=O	1748.3	Standard non polar	33892256
Croscarmellose,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C=O	2208.8	Standard polar	33892256
Croscarmellose,3TMS,isomer #10	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O)CO[Si](C)(C)C	1953.9	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #10	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O)CO[Si](C)(C)C	1820.5	Standard non polar	33892256
Croscarmellose,3TMS,isomer #10	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O)CO[Si](C)(C)C	2375.3	Standard polar	33892256
Croscarmellose,3TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O	1887.2	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O	1719.3	Standard non polar	33892256
Croscarmellose,3TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O	2157.8	Standard polar	33892256
Croscarmellose,3TMS,isomer #12	C[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1911.3	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #12	C[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1729.9	Standard non polar	33892256
Croscarmellose,3TMS,isomer #12	C[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2192.4	Standard polar	33892256
Croscarmellose,3TMS,isomer #13	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1923.9	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #13	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1789.3	Standard non polar	33892256
Croscarmellose,3TMS,isomer #13	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2311.3	Standard polar	33892256
Croscarmellose,3TMS,isomer #14	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	1918.7	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #14	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	1728.9	Standard non polar	33892256
Croscarmellose,3TMS,isomer #14	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	2136.1	Standard polar	33892256
Croscarmellose,3TMS,isomer #15	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	1946.4	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #15	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	1786.0	Standard non polar	33892256
Croscarmellose,3TMS,isomer #15	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	2310.9	Standard polar	33892256
Croscarmellose,3TMS,isomer #16	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C	1959.9	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #16	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C	1795.7	Standard non polar	33892256
Croscarmellose,3TMS,isomer #16	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C	2358.7	Standard polar	33892256
Croscarmellose,3TMS,isomer #17	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	1886.0	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #17	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	1727.0	Standard non polar	33892256
Croscarmellose,3TMS,isomer #17	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	2095.0	Standard polar	33892256
Croscarmellose,3TMS,isomer #18	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	1928.0	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #18	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	1787.3	Standard non polar	33892256
Croscarmellose,3TMS,isomer #18	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	2304.1	Standard polar	33892256
Croscarmellose,3TMS,isomer #19	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO	1964.1	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #19	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO	1796.5	Standard non polar	33892256
Croscarmellose,3TMS,isomer #19	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO	2347.3	Standard polar	33892256
Croscarmellose,3TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C=O	1916.5	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C=O	1739.5	Standard non polar	33892256
Croscarmellose,3TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C=O	2203.6	Standard polar	33892256
Croscarmellose,3TMS,isomer #20	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO	2006.7	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #20	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO	1785.8	Standard non polar	33892256
Croscarmellose,3TMS,isomer #20	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO	2323.0	Standard polar	33892256
Croscarmellose,3TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(C=O)O[Si](C)(C)C	1932.3	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(C=O)O[Si](C)(C)C	1753.5	Standard non polar	33892256
Croscarmellose,3TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(C=O)O[Si](C)(C)C	2207.4	Standard polar	33892256
Croscarmellose,3TMS,isomer #4	C[Si](C)(C)OC=C(O)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	1916.2	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #4	C[Si](C)(C)OC=C(O)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	1817.3	Standard non polar	33892256
Croscarmellose,3TMS,isomer #4	C[Si](C)(C)OC=C(O)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	2353.1	Standard polar	33892256
Croscarmellose,3TMS,isomer #5	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O	1897.9	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #5	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O	1738.5	Standard non polar	33892256
Croscarmellose,3TMS,isomer #5	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O	2161.0	Standard polar	33892256
Croscarmellose,3TMS,isomer #6	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(C=O)O[Si](C)(C)C	1935.5	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #6	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(C=O)O[Si](C)(C)C	1751.5	Standard non polar	33892256
Croscarmellose,3TMS,isomer #6	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(C=O)O[Si](C)(C)C	2200.6	Standard polar	33892256
Croscarmellose,3TMS,isomer #7	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	1940.3	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #7	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	1814.9	Standard non polar	33892256
Croscarmellose,3TMS,isomer #7	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	2318.8	Standard polar	33892256
Croscarmellose,3TMS,isomer #8	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1920.8	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #8	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1747.6	Standard non polar	33892256
Croscarmellose,3TMS,isomer #8	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	2130.1	Standard polar	33892256
Croscarmellose,3TMS,isomer #9	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C	1943.5	Semi standard non polar	33892256
Croscarmellose,3TMS,isomer #9	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C	1810.5	Standard non polar	33892256
Croscarmellose,3TMS,isomer #9	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C	2329.6	Standard polar	33892256
Croscarmellose,4TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O	1897.4	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O	1815.4	Standard non polar	33892256
Croscarmellose,4TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O	1975.1	Standard polar	33892256
Croscarmellose,4TMS,isomer #10	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C	1958.2	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #10	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C	1852.4	Standard non polar	33892256
Croscarmellose,4TMS,isomer #10	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C	2149.3	Standard polar	33892256
Croscarmellose,4TMS,isomer #11	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1926.6	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #11	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1811.6	Standard non polar	33892256
Croscarmellose,4TMS,isomer #11	C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1912.3	Standard polar	33892256
Croscarmellose,4TMS,isomer #12	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1967.2	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #12	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1861.9	Standard non polar	33892256
Croscarmellose,4TMS,isomer #12	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2156.7	Standard polar	33892256
Croscarmellose,4TMS,isomer #13	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1974.9	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #13	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1856.8	Standard non polar	33892256
Croscarmellose,4TMS,isomer #13	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2176.5	Standard polar	33892256
Croscarmellose,4TMS,isomer #14	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	1965.3	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #14	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	1838.5	Standard non polar	33892256
Croscarmellose,4TMS,isomer #14	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	2146.7	Standard polar	33892256
Croscarmellose,4TMS,isomer #15	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	1965.1	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #15	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	1840.4	Standard non polar	33892256
Croscarmellose,4TMS,isomer #15	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	2135.8	Standard polar	33892256
Croscarmellose,4TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(C=O)O[Si](C)(C)C	1941.2	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(C=O)O[Si](C)(C)C	1823.9	Standard non polar	33892256
Croscarmellose,4TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(C=O)O[Si](C)(C)C	2022.7	Standard polar	33892256
Croscarmellose,4TMS,isomer #3	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	1952.6	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #3	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	1877.0	Standard non polar	33892256
Croscarmellose,4TMS,isomer #3	C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	2166.2	Standard polar	33892256
Croscarmellose,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1927.5	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1821.1	Standard non polar	33892256
Croscarmellose,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1946.2	Standard polar	33892256
Croscarmellose,4TMS,isomer #5	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	1968.9	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #5	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	1870.6	Standard non polar	33892256
Croscarmellose,4TMS,isomer #5	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	2171.0	Standard polar	33892256
Croscarmellose,4TMS,isomer #6	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	1957.0	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #6	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	1871.9	Standard non polar	33892256
Croscarmellose,4TMS,isomer #6	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	2191.7	Standard polar	33892256
Croscarmellose,4TMS,isomer #7	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1919.7	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #7	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1825.9	Standard non polar	33892256
Croscarmellose,4TMS,isomer #7	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1913.8	Standard polar	33892256
Croscarmellose,4TMS,isomer #8	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	1961.8	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #8	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	1872.7	Standard non polar	33892256
Croscarmellose,4TMS,isomer #8	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	2156.4	Standard polar	33892256
Croscarmellose,4TMS,isomer #9	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	1983.8	Semi standard non polar	33892256
Croscarmellose,4TMS,isomer #9	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	1875.4	Standard non polar	33892256
Croscarmellose,4TMS,isomer #9	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	2181.0	Standard polar	33892256
Croscarmellose,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1898.4	Semi standard non polar	33892256
Croscarmellose,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1895.7	Standard non polar	33892256
Croscarmellose,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C	1802.5	Standard polar	33892256
Croscarmellose,5TMS,isomer #2	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	1947.7	Semi standard non polar	33892256
Croscarmellose,5TMS,isomer #2	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	1935.0	Standard non polar	33892256
Croscarmellose,5TMS,isomer #2	C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	2046.6	Standard polar	33892256
Croscarmellose,5TMS,isomer #3	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	1936.2	Semi standard non polar	33892256
Croscarmellose,5TMS,isomer #3	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	1930.9	Standard non polar	33892256
Croscarmellose,5TMS,isomer #3	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	2051.5	Standard polar	33892256
Croscarmellose,5TMS,isomer #4	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	1937.9	Semi standard non polar	33892256
Croscarmellose,5TMS,isomer #4	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	1913.8	Standard non polar	33892256
Croscarmellose,5TMS,isomer #4	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	2020.8	Standard polar	33892256
Croscarmellose,5TMS,isomer #5	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	1923.7	Semi standard non polar	33892256
Croscarmellose,5TMS,isomer #5	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	1915.2	Standard non polar	33892256
Croscarmellose,5TMS,isomer #5	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	2011.5	Standard polar	33892256
Croscarmellose,5TMS,isomer #6	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1933.5	Semi standard non polar	33892256
Croscarmellose,5TMS,isomer #6	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	1906.8	Standard non polar	33892256
Croscarmellose,5TMS,isomer #6	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2012.3	Standard polar	33892256
Croscarmellose,6TMS,isomer #1	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	1952.5	Semi standard non polar	33892256
Croscarmellose,6TMS,isomer #1	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	1979.2	Standard non polar	33892256
Croscarmellose,6TMS,isomer #1	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	1942.5	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C=O	2302.2	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C=O	2078.5	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C=O	2608.0	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(C(O)C=O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2295.0	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(C(O)C=O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2046.7	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(C(O)C=O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2527.1	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2319.6	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2059.3	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2558.7	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2367.3	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2159.5	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2690.4	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2317.0	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2045.0	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2515.0	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2377.1	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2146.0	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2692.7	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO	2385.8	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO	2131.4	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO	2719.9	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O	2288.1	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O	2071.1	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O	2575.2	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2310.2	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2085.1	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2567.2	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2345.3	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2087.3	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2587.7	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2362.8	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2194.6	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2731.2	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O	2289.7	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O	2049.6	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O	2562.0	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2314.9	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2062.7	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2549.5	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2358.6	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2073.7	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2568.9	Standard polar	33892256
Croscarmellose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2368.2	Semi standard non polar	33892256
Croscarmellose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2168.1	Standard non polar	33892256
Croscarmellose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2702.6	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O	2507.8	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O	2309.5	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O	2484.8	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2583.8	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2410.3	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2619.5	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2534.3	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2289.3	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2441.8	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2567.4	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2297.8	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2475.0	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2573.6	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2403.3	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2591.0	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2563.2	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2302.4	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2432.2	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2600.7	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2396.9	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2591.2	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2602.0	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2381.6	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2604.0	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2530.5	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2288.6	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2409.7	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2569.5	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2386.6	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2589.4	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2580.5	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2380.5	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2598.5	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2537.4	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2318.9	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2476.0	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2567.7	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2348.9	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2578.5	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2579.8	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2320.5	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2493.8	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2553.1	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2430.0	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2620.9	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2536.8	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2313.2	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2450.2	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2574.0	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2324.6	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2487.2	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2581.7	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2431.7	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2603.1	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2556.1	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2314.5	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2439.5	Standard polar	33892256
Croscarmellose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2593.6	Semi standard non polar	33892256
Croscarmellose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2414.7	Standard non polar	33892256
Croscarmellose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2609.6	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2747.4	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2516.6	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O	2390.7	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2803.5	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2570.2	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C	2524.9	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2756.4	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2506.1	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2352.4	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2785.4	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2606.2	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2549.3	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2821.5	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2591.3	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2542.8	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2808.5	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2565.1	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C	2513.7	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2764.7	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2554.9	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2514.5	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2798.7	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2527.0	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(C=O)O[Si](C)(C)C(C)(C)C	2422.7	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2779.0	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2632.4	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2559.8	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2778.9	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2532.9	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2381.7	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2810.1	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2625.7	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2562.4	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2809.0	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2602.3	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2560.0	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2771.7	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2529.5	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2361.2	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2794.8	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2622.6	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2554.8	Standard polar	33892256
Croscarmellose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2827.0	Semi standard non polar	33892256
Croscarmellose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2609.9	Standard non polar	33892256
Croscarmellose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2551.0	Standard polar	33892256
Croscarmellose,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2934.6	Semi standard non polar	33892256
Croscarmellose,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2742.7	Standard non polar	33892256
Croscarmellose,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C	2379.2	Standard polar	33892256
Croscarmellose,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2963.8	Semi standard non polar	33892256
Croscarmellose,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2825.1	Standard non polar	33892256
Croscarmellose,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2554.9	Standard polar	33892256
Croscarmellose,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2987.4	Semi standard non polar	33892256
Croscarmellose,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2803.3	Standard non polar	33892256
Croscarmellose,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2548.5	Standard polar	33892256
Croscarmellose,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2977.4	Semi standard non polar	33892256
Croscarmellose,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2785.4	Standard non polar	33892256
Croscarmellose,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2525.6	Standard polar	33892256
Croscarmellose,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2967.2	Semi standard non polar	33892256
Croscarmellose,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2785.7	Standard non polar	33892256
Croscarmellose,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	2519.7	Standard polar	33892256
Croscarmellose,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2958.0	Semi standard non polar	33892256
Croscarmellose,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2769.2	Standard non polar	33892256
Croscarmellose,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	2512.1	Standard polar	33892256
Croscarmellose,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3132.6	Semi standard non polar	33892256
Croscarmellose,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2995.6	Standard non polar	33892256
Croscarmellose,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2589.9	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Croscarmellose 10V, Positive-QTOF	splash10-0006-0090000000-5937b95171d59bf4cd2e	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Croscarmellose 20V, Positive-QTOF	splash10-0006-0090000000-5937b95171d59bf4cd2e	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Croscarmellose 40V, Positive-QTOF	splash10-0006-0090000000-5937b95171d59bf4cd2e	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Croscarmellose 10V, Negative-QTOF	splash10-000i-0090000000-3b2eccb0be525bb07f81	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Croscarmellose 20V, Negative-QTOF	splash10-000i-0090000000-3b2eccb0be525bb07f81	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Croscarmellose 40V, Negative-QTOF	splash10-000i-0090000000-3b2eccb0be525bb07f81	2016-08-03	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB015633

KNApSAcK ID

Not Available

Chemspider ID

23138

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

24748

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1008421

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Croscarmellose (HMDB0303567)

MOL for HMDB0303567 (Croscarmellose)

3D MOL for HMDB0303567 (Croscarmellose)

3D SDF for HMDB0303567 (Croscarmellose)

3D-SDF for HMDB0303567 (Croscarmellose)

PDB for HMDB0303567 (Croscarmellose)

3D PDB for HMDB0303567 (Croscarmellose)

SMILES for HMDB0303567 (Croscarmellose)

INCHI for HMDB0303567 (Croscarmellose)

Structure for HMDB0303567 (Croscarmellose)

3D Structure for HMDB0303567 (Croscarmellose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra