1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride
Basic information
- CAS
77974-80-2- Standard SMILES
Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1.[Cl-]- InChIKey
OCGGMAFTSRCSJO-XKGOWWBVSA-N- Molecular formula
- C20H19ClO9
- Average molar mass
- 438.8 g/mol
- Monoisotopic mass
- 438.0717599
Names & identifiers
- Preferred name
- 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride
- IUPAC
- (2S,3R,4S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol chloride
Names & synonyms
1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride
Database identifiers
- CAS
77974-80-2- PubChem CID
- 157137
- DTXSID
DTXSID90999217
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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