1,3-Dihydroxy-1-(4-hydroxyphenyl)propan-2-yl beta-D-glucopyranoside
Basic information
- CAS
84744-60-5- Standard SMILES
OCC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)c1ccc(O)cc1- InChIKey
NHBYOQPNAVRZAE-VITPDJKWSA-N- Molecular formula
- C15H22O9
- Average molar mass
- 346.33 g/mol
- Monoisotopic mass
- 346.12638228
Names & identifiers
- Preferred name
- 1,3-Dihydroxy-1-(4-hydroxyphenyl)propan-2-yl beta-D-glucopyranoside
- IUPAC
- (2R,3R,4S,5S,6R)-2-[1,3-dihydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
orb3178970DTXSID601149217TN1257984744-60-51,3-Dihydroxy-1-(4-hydroxyphenyl)propan-2-yl beta-D-glucopyranoside2-Hydroxy-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl I(2)-D-glucopyranoside
Database identifiers
- CAS
84744-60-5- PubChem CID
- 51136408
- DTXSID
DTXSID601149217
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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