Basic information
- CAS
749848-37-1- Standard SMILES
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(O)c1O- InChIKey
XYWFSSFJPFAYCA-KZCJGOGDSA-O- Molecular formula
- C21H21O11+
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 449.10838648
Overview
petunidin 3-arabinoside cation has been reported in Vaccinium padifolium, Lagerstroemia indica, and other organisms with data available.
Names & identifiers
- Preferred name
- Petunidin 3-arabinoside cation
- IUPAC
- (2S,3R,4S,5S)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol
Names & synonyms
Petunidin 3-arabinoside cationPetunidin-3-o-arabinoside cationUNII-883V52542W883V52542W1-Benzopyrylium, 3-(arabinosyloxy)-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-749848-37-11-Benzopyrylium, 3-(alpha-L-arabinopyranosyloxy)-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-(2S,3R,4S,5S)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol1-BENZOPYRYLIUM, 3-(.ALPHA.-L-ARABINOPYRANOSYLOXY)-2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-5,7-DIHYDROXY-(2S,3R,4S,5S)-2-(2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl)oxyoxane-3,4,5-triolRefChem:172171SCHEMBL30515711
Show more names
Q27269881
Database identifiers
- CAS
749848-37-1- PubChem CID
- 6325802
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 1
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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