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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 23:14:27 UTC

Update Date

2021-09-26 22:55:06 UTC

HMDB ID

HMDB0246205

Secondary Accession Numbers

None

Metabolite Identification

Common Name

[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate

Description

[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate, also known as mannose-6-phosphate disodium salt or D-hexose 6-phosphoric acid, belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate exists in all living organisms, ranging from bacteria to humans. Based on a literature review very few articles have been published on [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). [(2r,3r,4s,5s)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0248206
     RDKit          3D
alpha-D-Mannose-6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.8513   -0.8531    0.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821   -0.2320   -0.1007 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3975    1.3249    0.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0239   -0.1772   -1.7566 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2971   -1.1422    0.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766   -0.8903   -0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482    0.0951   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4182    0.5943   -1.1717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092    0.9585   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    0.2219   -2.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3760    0.7850    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7613    0.8536    0.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0122   -0.6102    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4582   -1.5739   -0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.6071    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3054   -0.0142    2.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1553    1.9191   -0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035   -0.0427   -1.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7277   -1.7906   -0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7074   -0.4163   -1.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    0.9118    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    2.0318   -1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534   -0.5941   -2.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    1.5488    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9129    1.6155   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5147   -0.7692    1.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2831   -2.0155    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106   -1.6729    1.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5266    0.5412    2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  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
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  0
 14 27  1  0
 15 28  1  0
 16 29  1  0
M  END

Structure #1
  Mrv0541 02241206082D          

 16 16  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0246205

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1OC(COP(O)(O)=O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)

> <INCHI_KEY>
NBSCHQHZLSJFNQ-UHFFFAOYSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
21.015715615476438

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]phosphonic acid

> <ALOGPS_LOGP>
-2.06

> <JCHEM_LOGP>
-3.056105249333333

> <ALOGPS_LOGS>
-0.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.248752256962443

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.222936327751123

> <JCHEM_PKA_STRONGEST_BASIC>
-3.64935696086094

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
46.796299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glucose 6-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0248206
     RDKit          3D
alpha-D-Mannose-6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.8513   -0.8531    0.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821   -0.2320   -0.1007 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3975    1.3249    0.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0239   -0.1772   -1.7566 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2971   -1.1422    0.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766   -0.8903   -0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482    0.0951   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4182    0.5943   -1.1717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092    0.9585   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    0.2219   -2.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3760    0.7850    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7613    0.8536    0.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0122   -0.6102    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4582   -1.5739   -0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.6071    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3054   -0.0142    2.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1553    1.9191   -0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035   -0.0427   -1.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7277   -1.7906   -0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7074   -0.4163   -1.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    0.9118    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    2.0318   -1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534   -0.5941   -2.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    1.5488    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9129    1.6155   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5147   -0.7692    1.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2831   -2.0155    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106   -1.6729    1.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5266    0.5412    2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  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
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  0
 14 27  1  0
 15 28  1  0
 16 29  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Structure #1                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       2.667   7.700   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.207   6.160   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.127   6.160   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   16  P   UNK     0       2.667   6.160   0.000  0.00  0.00           P+0
CONECT    1    2   14                                                       
CONECT    2    1    3   15                                                  
CONECT    3    2    4    7                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5   10   15                                                  
CONECT    7    3                                                            
CONECT    8    4                                                            
CONECT    9    5                                                            
CONECT   10    6                                                            
CONECT   11   16                                                            
CONECT   12   16                                                            
CONECT   13   16                                                            
CONECT   14    1   16                                                       
CONECT   15    2    6                                                       
CONECT   16   11   12   13   14                                             
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0248206
HETATM    1  O1  UNL     1       4.851  -0.853   0.616  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.682  -0.232  -0.101  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.398   1.325   0.502  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.024  -0.177  -1.757  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.297  -1.142   0.230  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.277  -0.890  -0.661  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.248   0.095  -0.112  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.418   0.594  -1.172  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.709   0.958  -1.067  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.451   0.222  -2.006  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.376   0.785   0.253  1.00  0.00           C  
HETATM   12  O7  UNL     1      -3.761   0.854   0.039  1.00  0.00           O  
HETATM   13  C5  UNL     1      -2.012  -0.610   0.741  1.00  0.00           C  
HETATM   14  O8  UNL     1      -2.458  -1.574  -0.139  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.526  -0.607   0.942  1.00  0.00           C  
HETATM   16  O9  UNL     1      -0.305  -0.014   2.197  1.00  0.00           O  
HETATM   17  H1  UNL     1       3.155   1.919  -0.263  1.00  0.00           H  
HETATM   18  H2  UNL     1       5.004  -0.043  -1.844  1.00  0.00           H  
HETATM   19  H3  UNL     1       0.728  -1.791  -0.990  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.707  -0.416  -1.566  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.848   0.912   0.363  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.821   2.032  -1.364  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.953  -0.594  -2.301  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.032   1.549   0.959  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.913   1.616  -0.590  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.515  -0.769   1.723  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.283  -2.015   0.214  1.00  0.00           H  
HETATM   28  H12 UNL     1      -0.211  -1.673   1.078  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.527   0.541   2.188  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   17
CONECT    4   18
CONECT    5    6
CONECT    6    7   19   20
CONECT    7    8   15   21
CONECT    8    9
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   13   24
CONECT   12   25
CONECT   13   14   15   26
CONECT   14   27
CONECT   15   16   28
CONECT   16   29
END

HMDB0248206
     RDKit          3D
alpha-D-Mannose-6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.8513   -0.8531    0.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821   -0.2320   -0.1007 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3975    1.3249    0.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0239   -0.1772   -1.7566 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2971   -1.1422    0.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766   -0.8903   -0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482    0.0951   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4182    0.5943   -1.1717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092    0.9585   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    0.2219   -2.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3760    0.7850    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7613    0.8536    0.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0122   -0.6102    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4582   -1.5739   -0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.6071    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3054   -0.0142    2.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1553    1.9191   -0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035   -0.0427   -1.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7277   -1.7906   -0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7074   -0.4163   -1.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    0.9118    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    2.0318   -1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534   -0.5941   -2.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    1.5488    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9129    1.6155   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5147   -0.7692    1.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2831   -2.0155    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106   -1.6729    1.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5266    0.5412    2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  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
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  0
 14 27  1  0
 15 28  1  0
 16 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphoric acid	Generator
D-Hexose 6-phosphoric acid	HMDB
Mannose-6-phosphate disodium salt	HMDB
Mannose-6-phosphate sodium salt, (D)-isomer	HMDB
Mannose-6-phosphate	HMDB
Mannose-6-phosphate dilithium salt	HMDB

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]phosphonic acid

Traditional Name

glucose 6-phosphate

CAS Registry Number

Not Available

SMILES

OC1OC(COP(O)(O)=O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)

InChI Key

NBSCHQHZLSJFNQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexose phosphates

Alternative Parents

Substituents

Hexose phosphate
Monosaccharide phosphate
Monoalkyl phosphate
Organic phosphoric acid derivative
Alkyl phosphate
Oxane
Phosphoric acid ester
Hemiacetal
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Alcohol
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

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	-2.1	ALOGPS
logP	-3.1	ChemAxon
logS	-0.92	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	46.8 m³·mol⁻¹	ChemAxon
Polarizability	21.02 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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
DeepCCS	[M+H]+	149.289	30932474
DeepCCS	[M-H]-	146.931	30932474
DeepCCS	[M-2H]-	180.974	30932474
DeepCCS	[M+Na]+	156.522	30932474
AllCCS	[M+H]+	156.8	32859911
AllCCS	[M+H-H2O]+	153.2	32859911
AllCCS	[M+NH4]+	160.2	32859911
AllCCS	[M+Na]+	161.1	32859911
AllCCS	[M-H]-	147.2	32859911
AllCCS	[M+Na-2H]-	147.5	32859911
AllCCS	[M+HCOO]-	147.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate	OC1OC(COP(O)(O)=O)C(O)C(O)C1O	2338.0	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate	OC1OC(COP(O)(O)=O)C(O)C(O)C1O	2223.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O)C1O	2345.5	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O)C1O	2127.0	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O)C1O	4139.9	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(O)C(O)C1O	2350.2	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(O)C(O)C1O	2101.1	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(O)C(O)C1O	4150.3	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(O)OC(COP(=O)(O)O)C1O	2340.6	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(O)OC(COP(=O)(O)O)C1O	2094.8	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(O)OC(COP(=O)(O)O)C1O	4124.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #4	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O)C1O	2357.2	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #4	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O)C1O	2092.6	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #4	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O)C1O	4168.4	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OCC1OC(O)C(O)C(O)C1O	2394.7	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OCC1OC(O)C(O)C(O)C1O	2228.5	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OCC1OC(O)C(O)C(O)C1O	4083.6	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C1O	2311.7	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C1O	2204.2	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C1O	3559.1	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #10	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	2368.7	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #10	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	2231.4	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #10	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	3427.9	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(O)C(O)C(O)C1O)O[Si](C)(C)C	2402.8	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(O)C(O)C(O)C1O)O[Si](C)(C)C	2322.0	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(O)C(O)C(O)C1O)O[Si](C)(C)C	3351.6	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C1O	2286.4	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C1O	2221.8	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C1O	3555.1	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #3	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O)C1O[Si](C)(C)C	2316.0	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #3	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O)C1O[Si](C)(C)C	2217.9	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #3	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O)C1O[Si](C)(C)C	3571.0	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #4	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C1O	2377.3	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #4	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C1O	2255.1	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #4	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C1O	3376.9	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #5	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	2310.5	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #5	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	2196.5	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #5	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	3621.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(O)C(O)C1O[Si](C)(C)C	2321.0	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(O)C(O)C1O[Si](C)(C)C	2206.4	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(O)C(O)C1O[Si](C)(C)C	3551.4	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(O)C(O)C1O	2361.8	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(O)C(O)C1O	2235.7	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(O)C(O)C1O	3389.1	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #8	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	2316.4	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #8	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	2195.7	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #8	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	3565.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #9	C[Si](C)(C)OC1C(O)C(O)OC(COP(=O)(O)O[Si](C)(C)C)C1O	2361.3	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #9	C[Si](C)(C)OC1C(O)C(O)OC(COP(=O)(O)O[Si](C)(C)C)C1O	2237.7	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TMS,isomer #9	C[Si](C)(C)OC1C(O)C(O)OC(COP(=O)(O)O[Si](C)(C)C)C1O	3384.0	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2340.5	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2286.2	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3187.3	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(O)C(O)C1O[Si](C)(C)C	2348.1	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(O)C(O)C1O[Si](C)(C)C	2310.9	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(O)C(O)C1O[Si](C)(C)C	3058.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)C(O)C1O	2310.2	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)C(O)C1O	2348.4	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)C(O)C1O	2957.6	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2340.0	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2315.0	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3095.1	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2354.4	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2297.7	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3236.1	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2359.3	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2311.0	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3060.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2352.6	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2291.6	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3200.5	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2341.7	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2336.6	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3074.7	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2359.2	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2313.1	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3069.5	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2374.7	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2285.9	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3226.6	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)C(O)C1O[Si](C)(C)C	2286.3	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)C(O)C1O[Si](C)(C)C	2392.2	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)C(O)C1O[Si](C)(C)C	2718.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2300.8	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2343.7	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2780.9	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2288.0	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2410.2	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2730.7	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2300.4	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2317.8	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2552.1	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2330.4	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2388.2	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2539.1	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2322.1	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2424.6	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2570.8	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2318.8	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2391.2	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2546.4	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1C(O)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2348.7	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1C(O)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2405.1	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1C(O)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2572.0	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2333.6	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2359.9	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2373.0	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O)C1O	2617.0	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O)C1O	2422.8	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O)C1O	4098.8	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(O)C(O)C1O	2613.3	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(O)C(O)C1O	2401.1	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(O)C(O)C1O	4112.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O)C1O	2626.7	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O)C1O	2393.0	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O)C1O	4126.5	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(O)C(O)C(O)C1O	2640.3	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(O)C(O)C(O)C1O	2491.6	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(O)C(O)C(O)C1O	4024.3	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(O)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O	2818.8	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(O)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O	2728.6	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(O)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O	3480.1	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2908.5	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2933.3	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3348.8	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2981.6	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2965.7	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3287.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2906.3	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2966.0	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3394.9	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2905.1	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2931.6	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3360.5	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2966.5	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3014.1	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3183.0	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2923.8	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2956.1	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3392.4	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)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)C1O	3149.8	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)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)C1O	3104.2	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)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)C1O	3067.1	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](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)C1O	3127.1	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](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)C1O	3178.6	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](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)C1O	3033.7	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3143.9	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3093.3	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3074.5	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)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)C1O[Si](C)(C)C(C)(C)C	3301.7	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)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)C1O[Si](C)(C)C(C)(C)C	3212.3	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O)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)C1O[Si](C)(C)C(C)(C)C	2967.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](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[Si](C)(C)C(C)(C)C)C1O	3300.1	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](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[Si](C)(C)C(C)(C)C)C1O	3249.1	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](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[Si](C)(C)C(C)(C)C)C1O	2960.8	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](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)C1O[Si](C)(C)C(C)(C)C	3289.7	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](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)C1O[Si](C)(C)C(C)(C)C	3294.6	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](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)C1O[Si](C)(C)C(C)(C)C	2985.2	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3295.6	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3240.0	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2969.3	Standard polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3327.4	Semi standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3275.0	Standard non polar	33892256
[(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2986.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9860000000-5a897b0466ab43b82f47	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_3_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_3_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_3_13) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_3_14) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_4_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_4_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_4_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_4_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_4_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_4_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_4_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TMS_4_11) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TBDMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TBDMS_2_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TBDMS_2_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TBDMS_2_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate GC-MS (TBDMS_2_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 10V, Positive-QTOF	splash10-03di-1490000000-3abaa4b97c0e3c89d771	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 20V, Positive-QTOF	splash10-01ot-5940000000-c1397860984de0d7659b	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 40V, Positive-QTOF	splash10-0f6t-9800000000-494c8c7c77e12a86945a	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 10V, Negative-QTOF	splash10-0a6r-6190000000-c2775543145bacf9fc09	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 20V, Negative-QTOF	splash10-004i-9000000000-fcfb337ab55b5f0d1ff6	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 40V, Negative-QTOF	splash10-004i-9000000000-436d3592bb5f1d047020	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 10V, Negative-QTOF	splash10-0a6s-9060000000-b446300429049a22bea4	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 20V, Negative-QTOF	splash10-004i-9000000000-d5aaca13a836cb9f1725	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 10V, Positive-QTOF	splash10-03dm-0970000000-40dbaf3d3c72cf65bf47	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 20V, Positive-QTOF	splash10-01ot-7900000000-00bc03290b6c0bfb7f84	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate 40V, Positive-QTOF	splash10-000t-9000000000-7a6ff6606f1dbc2f0ae4	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

203

KEGG Compound ID

C02965

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

208

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for [(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate (HMDB0246205)

MOL for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

3D MOL for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

3D SDF for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

3D-SDF for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

PDB for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

3D PDB for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

SMILES for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

INCHI for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

Structure for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

3D Structure for HMDB0246205 ([(2R,3R,4S,5S)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra