beta-D-Glucopyranoside, phenylmethyl 4-O-beta-D-glucopyranosyl-
Basic information
- CAS
6992-65-0- Standard SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCc3ccccc3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
UMOKGHPPSFCSDC-YVSFIXKFSA-N- Molecular formula
- C19H28O11
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.16316171
Names & identifiers
- Preferred name
- beta-D-Glucopyranoside, phenylmethyl 4-O-beta-D-glucopyranosyl-
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
Benzyl beta-cellobioside6992-65-0Benzyl beta-D-cellobiosidebeta-D-Glucopyranoside, phenylmethyl 4-O-beta-D-glucopyranosyl-Benzyl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranosideCHEMBL1222252DTXSID70990186Benzyl 4-O-hexopyranosylhexopyranoside
Database identifiers
- CAS
6992-65-0- PubChem CID
- 9549263
- DTXSID
DTXSID70990186- ChEMBL
CHEMBL1222252- Nikkaji
- J1.336.039A
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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