Basic information
- CAS
134224-05-8- Standard SMILES
O=S(=O)(O)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]1O- InChIKey
HHRMGTRTCHNCRO-FDROIEKHSA-N- Molecular formula
- C6H12O9S
- Average molar mass
- 260.22 g/mol
- Monoisotopic mass
- 260.02020313
Overview
3-O-sulfo-beta-D-galactose is a monosaccharide sulfate that is beta-D-galactose bearing a single sulfo substituent at position 3; sulfatide in which both acyl chains have been removed by treatment with ceramide glycanase. It has a role as an epitope. It is functionally related to a beta-D-galactose.
Names & identifiers
- Preferred name
- 3-O-sulfo-beta-D-galactose
- IUPAC
- [(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Names & synonyms
3-O-sulfo-beta-D-galactopyranose3-o-sulfo-beta-d-galactoseCHEBI:65148RefChem:855356GlyTouCan:G72548RZG72548RZbeta-D-Gal6S[3OSO3]Galbeta3-O-sulfo-beta-D-Gal3-O-sulfo-beta-D-GalpO3-SULFONYLGALACTOSEsulph-CG
Show more names
3-O-sulfo-beta-galactoseSCHEMBL741519DTXSID901272786DB01818134224-05-8NS00070021I(2)-D-Galactopyranose, 3-(hydrogen sulfate)Q27133694
Database identifiers
- CAS
134224-05-8- PubChem CID
- 444635
- DTXSID
DTXSID901272786- ChEBI
CHEBI:65148- Nikkaji
- J1.589.619A
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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