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Showing metabocard for d-Fucitol (HMDB0304954)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-10-08 16:24:44 UTC
Update Date2021-10-08 16:24:45 UTC
HMDB IDHMDB0304954
Secondary Accession NumbersNone
Metabolite Identification
Common Named-Fucitol
DescriptionFucitol 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. Fucitol is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0304954 (d-Fucitol)


  Mrv0541 05041404042D          

 15 14  0  0  1  0            999 V2000
    2.3349   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5230   -1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9059   -1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1914   -0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9520   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -1.5395    0.0000 H   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  2  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  5 10  1  6  0  0  0
  6 11  1  1  0  0  0
  3 12  1  6  0  0  0
  4 13  1  1  0  0  0
  5 14  1  6  0  0  0
  6 15  1  1  0  0  0
M  END
Download

3D MOL for HMDB0304954 (d-Fucitol)

HMDB0304954
     RDKit          3D

 25 24  0  0  0  0  0  0  0  0999 V2000
    2.4896   -0.3833   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734   -0.8342    0.6862 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7123   -1.8789    0.0972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565    0.3000    1.0717 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2733    1.2995    1.6613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2178    0.9332   -0.0942 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7921    1.3578   -0.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756    0.0949   -0.8533 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6787    0.9180   -1.8960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987   -0.3101   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307   -1.1346    1.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746   -1.0353   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2092   -0.4736   -1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085    0.6494   -0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638   -1.1851    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -2.4317   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577   -0.0164    1.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022    2.0012    2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.8692    0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    1.1755   -1.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7567   -0.7866   -1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5048    1.8626   -1.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0332   -0.9220   -0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0214    0.5664    0.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9571   -1.6361    1.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  1
  3 16  1  0
  4 17  1  1
  5 18  1  0
  6 19  1  1
  7 20  1  0
  8 21  1  6
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
M  END
Download

3D SDF for HMDB0304954 (d-Fucitol)


  Mrv0541 05041404042D          

 15 14  0  0  1  0            999 V2000
    2.3349   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5230   -1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9059   -1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1914   -0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9520   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -1.5395    0.0000 H   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  2  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  5 10  1  6  0  0  0
  6 11  1  1  0  0  0
  3 12  1  6  0  0  0
  4 13  1  1  0  0  0
  5 14  1  6  0  0  0
  6 15  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0304954

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@](C)(O)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1

> <INCHI_KEY>
SKCKOFZKJLZSFA-KCDKBNATSA-N

> <FORMULA>
C6H14O5

> <MOLECULAR_WEIGHT>
166.1724

> <EXACT_MASS>
166.084123558

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
16.110726257660502

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5S)-hexane-1,2,3,4,5-pentol

> <ALOGPS_LOGP>
-2.25

> <JCHEM_LOGP>
-2.683108882

> <ALOGPS_LOGS>
0.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.642051755496475

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.69525446645461

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9742106409022417

> <JCHEM_POLAR_SURFACE_AREA>
101.15

> <JCHEM_REFRACTIVITY>
36.859899999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.76e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4R,5S)-hexane-1,2,3,4,5-pentol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0304954 (d-Fucitol)

HMDB0304954
     RDKit          3D

 25 24  0  0  0  0  0  0  0  0999 V2000
    2.4896   -0.3833   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734   -0.8342    0.6862 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7123   -1.8789    0.0972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565    0.3000    1.0717 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2733    1.2995    1.6613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2178    0.9332   -0.0942 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7921    1.3578   -0.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756    0.0949   -0.8533 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6787    0.9180   -1.8960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987   -0.3101   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307   -1.1346    1.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746   -1.0353   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2092   -0.4736   -1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085    0.6494   -0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638   -1.1851    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -2.4317   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577   -0.0164    1.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022    2.0012    2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.8692    0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    1.1755   -1.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7567   -0.7866   -1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5048    1.8626   -1.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0332   -0.9220   -0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0214    0.5664    0.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9571   -1.6361    1.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  1
  3 16  1  0
  4 17  1  1
  5 18  1  0
  6 19  1  1
  7 20  1  0
  8 21  1  6
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
M  END
Download

PDB for HMDB0304954 (d-Fucitol)

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   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       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   13  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   15  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    3                                                            
CONECT    2    4    7                                                       
CONECT    3    1    5    8   12                                             
CONECT    4    2    6    9   13                                             
CONECT    5    3    6   10   14                                             
CONECT    6    4    5   11   15                                             
CONECT    7    2                                                            
CONECT    8    3                                                            
CONECT    9    4                                                            
CONECT   10    5                                                            
CONECT   11    6                                                            
CONECT   12    3                                                            
CONECT   13    4                                                            
CONECT   14    5                                                            
CONECT   15    6                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   28    0
END
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3D PDB for HMDB0304954 (d-Fucitol)

COMPND    HMDB0304954
HETATM    1  C1  UNL     1       2.490  -0.383  -0.221  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.373  -0.834   0.686  1.00  0.00           C  
HETATM    3  O1  UNL     1       0.712  -1.879   0.097  1.00  0.00           O  
HETATM    4  C3  UNL     1       0.456   0.300   1.072  1.00  0.00           C  
HETATM    5  O2  UNL     1       1.273   1.300   1.661  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.218   0.933  -0.094  1.00  0.00           C  
HETATM    7  O3  UNL     1       0.792   1.358  -0.988  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.176   0.095  -0.853  1.00  0.00           C  
HETATM    9  O4  UNL     1      -1.679   0.918  -1.896  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.399  -0.310  -0.070  1.00  0.00           C  
HETATM   11  O5  UNL     1      -2.131  -1.135   1.016  1.00  0.00           O  
HETATM   12  H1  UNL     1       3.375  -1.035  -0.015  1.00  0.00           H  
HETATM   13  H2  UNL     1       2.209  -0.474  -1.290  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.808   0.649  -0.039  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.864  -1.185   1.642  1.00  0.00           H  
HETATM   16  H5  UNL     1       1.286  -2.432  -0.475  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.258  -0.016   1.827  1.00  0.00           H  
HETATM   18  H7  UNL     1       0.702   2.001   2.089  1.00  0.00           H  
HETATM   19  H8  UNL     1      -0.733   1.869   0.212  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.524   1.176  -1.934  1.00  0.00           H  
HETATM   21  H10 UNL     1      -0.757  -0.787  -1.349  1.00  0.00           H  
HETATM   22  H11 UNL     1      -1.505   1.863  -1.735  1.00  0.00           H  
HETATM   23  H12 UNL     1      -3.033  -0.922  -0.770  1.00  0.00           H  
HETATM   24  H13 UNL     1      -3.021   0.566   0.196  1.00  0.00           H  
HETATM   25  H14 UNL     1      -2.957  -1.636   1.230  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    4   15
CONECT    3   16
CONECT    4    5    6   17
CONECT    5   18
CONECT    6    7    8   19
CONECT    7   20
CONECT    8    9   10   21
CONECT    9   22
CONECT   10   11   23   24
CONECT   11   25
END
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SMILES for HMDB0304954 (d-Fucitol)

[H][C@@](C)(O)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)CO
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INCHI for HMDB0304954 (d-Fucitol)

InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
FucitolMeSH
Chemical FormulaC6H14O5
Average Molecular Weight166.1724
Monoisotopic Molecular Weight166.084123558
IUPAC Name(2R,3S,4R,5S)-hexane-1,2,3,4,5-pentol
Traditional Name(2R,3S,4R,5S)-hexane-1,2,3,4,5-pentol
CAS Registry NumberNot Available
SMILES
[H][C@@](C)(O)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)CO
InChI Identifier
InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1
InChI KeySKCKOFZKJLZSFA-KCDKBNATSA-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.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Fatty alcohol
  • Fatty acyl
  • Secondary alcohol
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.2ALOGPS
logP-2.7ChemAxon
logS0.46ALOGPS
pKa (Strongest Acidic)12.7ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area101.15 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity36.86 m³·mol⁻¹ChemAxon
Polarizability16.11 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+139.60632859911
AllCCS[M+H-H2O]+135.72432859911
AllCCS[M+Na]+144.2632859911
AllCCS[M+NH4]+143.21932859911
AllCCS[M-H]-130.98532859911
AllCCS[M+Na-2H]-132.8432859911
AllCCS[M+HCOO]-134.93932859911
DeepCCS[M+H]+140.07630932474
DeepCCS[M-H]-137.72130932474
DeepCCS[M-2H]-172.25930932474
DeepCCS[M+Na]+146.47930932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
d-Fucitol,1TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO1537.2Semi standard non polar33892256
d-Fucitol,1TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO1400.6Standard non polar33892256
d-Fucitol,1TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO2618.2Standard polar33892256
d-Fucitol,1TMS,isomer #2C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO1500.4Semi standard non polar33892256
d-Fucitol,1TMS,isomer #2C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO1409.4Standard non polar33892256
d-Fucitol,1TMS,isomer #2C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO2546.3Standard polar33892256
d-Fucitol,1TMS,isomer #3C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO1503.2Semi standard non polar33892256
d-Fucitol,1TMS,isomer #3C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO1400.9Standard non polar33892256
d-Fucitol,1TMS,isomer #3C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO2502.5Standard polar33892256
d-Fucitol,1TMS,isomer #4C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1508.2Semi standard non polar33892256
d-Fucitol,1TMS,isomer #4C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1415.3Standard non polar33892256
d-Fucitol,1TMS,isomer #4C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C2536.6Standard polar33892256
d-Fucitol,1TMS,isomer #5C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C1555.3Semi standard non polar33892256
d-Fucitol,1TMS,isomer #5C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C1443.8Standard non polar33892256
d-Fucitol,1TMS,isomer #5C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C2585.5Standard polar33892256
d-Fucitol,2TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO1585.7Semi standard non polar33892256
d-Fucitol,2TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO1526.3Standard non polar33892256
d-Fucitol,2TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO2069.7Standard polar33892256
d-Fucitol,2TMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1593.2Semi standard non polar33892256
d-Fucitol,2TMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1566.1Standard non polar33892256
d-Fucitol,2TMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2157.0Standard polar33892256
d-Fucitol,2TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO1586.1Semi standard non polar33892256
d-Fucitol,2TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO1519.6Standard non polar33892256
d-Fucitol,2TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO2049.0Standard polar33892256
d-Fucitol,2TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1609.4Semi standard non polar33892256
d-Fucitol,2TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1536.0Standard non polar33892256
d-Fucitol,2TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C2080.2Standard polar33892256
d-Fucitol,2TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C1633.4Semi standard non polar33892256
d-Fucitol,2TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C1571.0Standard non polar33892256
d-Fucitol,2TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C2117.5Standard polar33892256
d-Fucitol,2TMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1558.9Semi standard non polar33892256
d-Fucitol,2TMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1532.0Standard non polar33892256
d-Fucitol,2TMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO2032.6Standard polar33892256
d-Fucitol,2TMS,isomer #6C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1588.8Semi standard non polar33892256
d-Fucitol,2TMS,isomer #6C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1537.6Standard non polar33892256
d-Fucitol,2TMS,isomer #6C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1999.2Standard polar33892256
d-Fucitol,2TMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C1603.0Semi standard non polar33892256
d-Fucitol,2TMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C1566.9Standard non polar33892256
d-Fucitol,2TMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C2057.2Standard polar33892256
d-Fucitol,2TMS,isomer #8C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1562.5Semi standard non polar33892256
d-Fucitol,2TMS,isomer #8C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1537.6Standard non polar33892256
d-Fucitol,2TMS,isomer #8C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2072.5Standard polar33892256
d-Fucitol,2TMS,isomer #9C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1585.8Semi standard non polar33892256
d-Fucitol,2TMS,isomer #9C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1564.0Standard non polar33892256
d-Fucitol,2TMS,isomer #9C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C2070.8Standard polar33892256
d-Fucitol,3TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1664.0Semi standard non polar33892256
d-Fucitol,3TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1630.0Standard non polar33892256
d-Fucitol,3TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1853.1Standard polar33892256
d-Fucitol,3TMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1652.2Semi standard non polar33892256
d-Fucitol,3TMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1654.2Standard non polar33892256
d-Fucitol,3TMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1939.2Standard polar33892256
d-Fucitol,3TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1683.1Semi standard non polar33892256
d-Fucitol,3TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1630.2Standard non polar33892256
d-Fucitol,3TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1828.9Standard polar33892256
d-Fucitol,3TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C1691.9Semi standard non polar33892256
d-Fucitol,3TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C1648.9Standard non polar33892256
d-Fucitol,3TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C1881.6Standard polar33892256
d-Fucitol,3TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1666.9Semi standard non polar33892256
d-Fucitol,3TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1631.9Standard non polar33892256
d-Fucitol,3TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1877.9Standard polar33892256
d-Fucitol,3TMS,isomer #5C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1682.0Semi standard non polar33892256
d-Fucitol,3TMS,isomer #5C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1649.7Standard non polar33892256
d-Fucitol,3TMS,isomer #5C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1878.9Standard polar33892256
d-Fucitol,3TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1687.4Semi standard non polar33892256
d-Fucitol,3TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1653.5Standard non polar33892256
d-Fucitol,3TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1949.9Standard polar33892256
d-Fucitol,3TMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1646.6Semi standard non polar33892256
d-Fucitol,3TMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1636.1Standard non polar33892256
d-Fucitol,3TMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1842.2Standard polar33892256
d-Fucitol,3TMS,isomer #8C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1658.1Semi standard non polar33892256
d-Fucitol,3TMS,isomer #8C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1650.2Standard non polar33892256
d-Fucitol,3TMS,isomer #8C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1849.8Standard polar33892256
d-Fucitol,3TMS,isomer #9C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1667.7Semi standard non polar33892256
d-Fucitol,3TMS,isomer #9C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1647.9Standard non polar33892256
d-Fucitol,3TMS,isomer #9C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1871.0Standard polar33892256
d-Fucitol,4TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1713.3Semi standard non polar33892256
d-Fucitol,4TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1722.3Standard non polar33892256
d-Fucitol,4TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1671.3Standard polar33892256
d-Fucitol,4TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1711.7Semi standard non polar33892256
d-Fucitol,4TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1725.3Standard non polar33892256
d-Fucitol,4TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1681.4Standard polar33892256
d-Fucitol,4TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1729.1Semi standard non polar33892256
d-Fucitol,4TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1724.1Standard non polar33892256
d-Fucitol,4TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1704.0Standard polar33892256
d-Fucitol,4TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1721.2Semi standard non polar33892256
d-Fucitol,4TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1728.5Standard non polar33892256
d-Fucitol,4TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1768.5Standard polar33892256
d-Fucitol,4TMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1692.2Semi standard non polar33892256
d-Fucitol,4TMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1731.0Standard non polar33892256
d-Fucitol,4TMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1721.9Standard polar33892256
d-Fucitol,5TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1796.1Semi standard non polar33892256
d-Fucitol,5TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1805.0Standard non polar33892256
d-Fucitol,5TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1667.8Standard polar33892256
d-Fucitol,1TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO1792.5Semi standard non polar33892256
d-Fucitol,1TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO1623.7Standard non polar33892256
d-Fucitol,1TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO2595.0Standard polar33892256
d-Fucitol,1TBDMS,isomer #2C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO1756.5Semi standard non polar33892256
d-Fucitol,1TBDMS,isomer #2C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO1625.7Standard non polar33892256
d-Fucitol,1TBDMS,isomer #2C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO2520.6Standard polar33892256
d-Fucitol,1TBDMS,isomer #3C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO1747.3Semi standard non polar33892256
d-Fucitol,1TBDMS,isomer #3C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO1621.8Standard non polar33892256
d-Fucitol,1TBDMS,isomer #3C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2517.1Standard polar33892256
d-Fucitol,1TBDMS,isomer #4C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C1758.5Semi standard non polar33892256
d-Fucitol,1TBDMS,isomer #4C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C1628.3Standard non polar33892256
d-Fucitol,1TBDMS,isomer #4C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2548.0Standard polar33892256
d-Fucitol,1TBDMS,isomer #5C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C1795.1Semi standard non polar33892256
d-Fucitol,1TBDMS,isomer #5C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C1658.7Standard non polar33892256
d-Fucitol,1TBDMS,isomer #5C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2627.3Standard polar33892256
d-Fucitol,2TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO2052.8Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO1974.0Standard non polar33892256
d-Fucitol,2TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO2247.3Standard polar33892256
d-Fucitol,2TBDMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2051.5Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C1998.3Standard non polar33892256
d-Fucitol,2TBDMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2315.0Standard polar33892256
d-Fucitol,2TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2052.1Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO1978.0Standard non polar33892256
d-Fucitol,2TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2245.4Standard polar33892256
d-Fucitol,2TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2063.5Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C1996.8Standard non polar33892256
d-Fucitol,2TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2269.7Standard polar33892256
d-Fucitol,2TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2082.8Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2013.5Standard non polar33892256
d-Fucitol,2TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2302.3Standard polar33892256
d-Fucitol,2TBDMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2046.0Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO1983.9Standard non polar33892256
d-Fucitol,2TBDMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2226.6Standard polar33892256
d-Fucitol,2TBDMS,isomer #6C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2055.2Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #6C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C1991.6Standard non polar33892256
d-Fucitol,2TBDMS,isomer #6C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2204.8Standard polar33892256
d-Fucitol,2TBDMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2064.7Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2007.3Standard non polar33892256
d-Fucitol,2TBDMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2254.0Standard polar33892256
d-Fucitol,2TBDMS,isomer #8C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2039.9Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #8C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C1984.2Standard non polar33892256
d-Fucitol,2TBDMS,isomer #8C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2259.2Standard polar33892256
d-Fucitol,2TBDMS,isomer #9C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2042.4Semi standard non polar33892256
d-Fucitol,2TBDMS,isomer #9C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C1999.8Standard non polar33892256
d-Fucitol,2TBDMS,isomer #9C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2269.9Standard polar33892256
d-Fucitol,3TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2338.2Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2248.4Standard non polar33892256
d-Fucitol,3TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2206.8Standard polar33892256
d-Fucitol,3TBDMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2317.0Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2262.3Standard non polar33892256
d-Fucitol,3TBDMS,isomer #10C[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2277.0Standard polar33892256
d-Fucitol,3TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2352.9Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2252.0Standard non polar33892256
d-Fucitol,3TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2194.0Standard polar33892256
d-Fucitol,3TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2364.6Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2268.9Standard non polar33892256
d-Fucitol,3TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2234.0Standard polar33892256
d-Fucitol,3TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2346.7Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2253.8Standard non polar33892256
d-Fucitol,3TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2234.5Standard polar33892256
d-Fucitol,3TBDMS,isomer #5C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2359.0Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #5C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2270.3Standard non polar33892256
d-Fucitol,3TBDMS,isomer #5C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2243.6Standard polar33892256
d-Fucitol,3TBDMS,isomer #6C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2353.4Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #6C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2273.9Standard non polar33892256
d-Fucitol,3TBDMS,isomer #6C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2285.6Standard polar33892256
d-Fucitol,3TBDMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2350.4Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2249.6Standard non polar33892256
d-Fucitol,3TBDMS,isomer #7C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2208.3Standard polar33892256
d-Fucitol,3TBDMS,isomer #8C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2347.0Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #8C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2264.8Standard non polar33892256
d-Fucitol,3TBDMS,isomer #8C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2224.9Standard polar33892256
d-Fucitol,3TBDMS,isomer #9C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2348.7Semi standard non polar33892256
d-Fucitol,3TBDMS,isomer #9C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2264.4Standard non polar33892256
d-Fucitol,3TBDMS,isomer #9C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2233.6Standard polar33892256
d-Fucitol,4TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2581.9Semi standard non polar33892256
d-Fucitol,4TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2452.1Standard non polar33892256
d-Fucitol,4TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2197.5Standard polar33892256
d-Fucitol,4TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2588.8Semi standard non polar33892256
d-Fucitol,4TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2468.4Standard non polar33892256
d-Fucitol,4TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2213.3Standard polar33892256
d-Fucitol,4TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2581.8Semi standard non polar33892256
d-Fucitol,4TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2468.8Standard non polar33892256
d-Fucitol,4TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2226.6Standard polar33892256
d-Fucitol,4TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2572.1Semi standard non polar33892256
d-Fucitol,4TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2466.6Standard non polar33892256
d-Fucitol,4TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2270.7Standard polar33892256
d-Fucitol,4TBDMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2569.1Semi standard non polar33892256
d-Fucitol,4TBDMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2465.5Standard non polar33892256
d-Fucitol,4TBDMS,isomer #5C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2240.7Standard polar33892256
d-Fucitol,5TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2817.7Semi standard non polar33892256
d-Fucitol,5TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2695.8Standard non polar33892256
d-Fucitol,5TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2288.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - d-Fucitol GC-MS (Non-derivatized) - 70eV, Positivesplash10-08i4-9200000000-3a42655db4c6b3b25ee12017-08-28Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 10V, Positive-QTOFsplash10-014j-2900000000-463f4e1f1d486497d5602017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 20V, Positive-QTOFsplash10-03di-9200000000-fb9f300d77597175c3df2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 40V, Positive-QTOFsplash10-0c34-9100000000-6cc0dec25147f2b648c42017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 10V, Negative-QTOFsplash10-0q4u-9600000000-e7f8dfef9f48d5a5b4eb2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 20V, Negative-QTOFsplash10-0abi-9100000000-bd90159018ee17a9dd112017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 40V, Negative-QTOFsplash10-0a4l-9000000000-dfa74e5cf5a1e54779df2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 10V, Positive-QTOFsplash10-001i-3900000000-6ef483fe0c4e1248427d2021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 20V, Positive-QTOFsplash10-06r6-9000000000-a4f6fa49e19d8bd6c5792021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 40V, Positive-QTOFsplash10-0005-9000000000-868418a234f8b5d59b582021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 10V, Negative-QTOFsplash10-0a4i-9100000000-63d1691aca3580be70902021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 20V, Negative-QTOFsplash10-0a4i-9000000000-a19de9ed1d1597de31962021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - d-Fucitol 40V, Negative-QTOFsplash10-052f-9000000000-47be8d90f154e19b82622021-10-22Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03815
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFucitol
METLIN IDNot Available
PubChem Compound445724
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Mack CI, Weinert CH, Egert B, Ferrario PG, Bub A, Hoffmann I, Watzl B, Daniel H, Kulling SE: The complex human urinary sugar profile: determinants revealed in the cross-sectional KarMeN study. Am J Clin Nutr. 2018 Sep 1;108(3):502-516. doi: 10.1093/ajcn/nqy131. [PubMed:30535088 ]