3-O-beta-D-galactopyranosyl-beta-D-galactopyranose
Basic information
- CAS
71630-16-5- Standard SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
QIGJYVCQYDKYDW-BAYKCOMVSA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Overview
Beta-(1->3)-galactobiose is a glycosylgalactose comprising two beta-D-galactose units joined via a (13)-linkage. It has a role as an epitope.
Names & identifiers
- Preferred name
- 3-O-beta-D-galactopyranosyl-beta-D-galactopyranose
- IUPAC
- (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
Names & synonyms
3-O-beta-D-galactopyranosyl-beta-D-galactopyranoseDTXSID70134661471630-16-5RefChem:935712GlyTouCan:G95894VWDTXCID301775287G95894VW(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxane-2,3,5-triolbeta-(1->3)-galactobioseGalbeta1-3GalbetaCHEBI:61772beta-D-Gal-(1->3)-beta-D-Gal
Show more names
beta-D-Galp-(1->3)-beta-D-Galpbeta-D-galactosyl-(1->3)-beta-D-galactosebeta-D-galactopyranosyl-(1->3)-beta-D-galactopyranoseGalb1-3GalbEpitope ID:156495SCHEMBL29532466Q27131385
Database identifiers
- CAS
71630-16-5- PubChem CID
- 5288340
- DTXSID
DTXSID701346614- ChEBI
CHEBI:61772- Nikkaji
- J2.218.900J
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
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Compound notes
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