Basic information
- CAS
5995-99-3- 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-LFWCVFAXSA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Overview
Alpha-Gentiobiose is a gentiobiose.
Names & identifiers
- Preferred name
- Gentiobiose, alpha-
- IUPAC
- (2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Names & synonyms
Gentiobiose, alpha-8UZ228S1175995-99-36-o-beta-D-Glucopyranosyl-alpha-D-glucosealpha-D-Glucose, 6-o-beta-D-glucopyranosyl-DTXSID10862050Gentiobiose alpha-(2S,3R,4S,5S,6R)-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxane-2,3,4,5-tetrol(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrolRefChem:937978GlyTouCan:G91215DPDTXCID501511075
Show more names
G91215DPalpha-gentiobioseGentiobiose alpha-form [MI]UNII-8UZ228S117Gentiobiose, .alpha.-SCHEMBL670203CHEBI:183828beta-D-Glcp-(1->6)-alpha-D-Glcp
Database identifiers
- CAS
5995-99-3- PubChem CID
- 12302012
- DTXSID
DTXSID10862050- ChEBI
CHEBI:183828- UNII
- 8UZ228S117
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
Loading…