Basic information
- CAS
13299-21-3- Standard SMILES
OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
DLRVVLDZNNYCBX-ZZFZYMBESA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Overview
Beta-melibiose is a melibiose that has beta-configuration at the anomeric hydroxy group. It has a role as an epitope.
Names & identifiers
- Preferred name
- 6-O-alpha-D-Galactopyranosyl-beta-D-glucopyranose
- IUPAC
- (2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Names & synonyms
13299-21-3DTXSID7012675416-O-alpha-D-galactopyranosyl-beta-D-glucopyranoseRefChem:935951GlyTouCan:G55954SFDTXCID201698179G55954SFbeta-melibioseCHEBI:61827(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol6-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol;hydrate(2R,3R,4S,5S,6R)-6-((((2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
Show more names
1ugy13299-20-2Gala1-6GlcbGalalpha1-6GlcbetaGal-alpha1-6-Glc-betaEpitope ID:167069SCHEMBL38974orb1984469
Database identifiers
- CAS
13299-21-3- PubChem CID
- 11458
- DTXSID
DTXSID701267541- ChEBI
CHEBI:61827
Properties
Computed structural properties
- XLogP
- -4.7
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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