Basic information
- CAS
131579-69-6- Standard SMILES
O=C(O)c1cc(O)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1- InChIKey
YPSNWSNUXIIKHO-OAZVDXGHSA-N- Molecular formula
- C13H16O10
- Average molar mass
- 332.26 g/mol
- Monoisotopic mass
- 332.07434671
Overview
4-(alpha-D-Glucopyranosyl)oxy-3,5-dihydroxybenzoic acid has been reported in Rhodiola sacra and Rhodiola chrysanthemifolia with data available.
Names & identifiers
- Preferred name
- 3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
- IUPAC
- 3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Names & synonyms
27DT2L6EZLgallic acid o-alpha-d-glucoside4-(alpha-D-Glucopyranosyloxy)-3,5-dihydroxybenzoic acidBenzoic acid, 4-(alpha-D-glucopyranosyloxy)-3,5-dihydroxy-131579-69-6
Database identifiers
- CAS
131579-69-6- UNII
- 27DT2L6EZL
- Nikkaji
- J347.941B
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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