[(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Basic information
- CAS
110327-00-9- Standard SMILES
CCO[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@]1(O)c1ccc(O)cc1- InChIKey
OWWLEONCQWDBBP-SGHATVKGSA-N- Molecular formula
- C29H36O14
- Average molar mass
- 608.6 g/mol
- Monoisotopic mass
- 608.21050582
Names & identifiers
- Preferred name
- [(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- IUPAC
- [(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Names & synonyms
[(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Database identifiers
- CAS
110327-00-9- PubChem CID
- 6442889
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 927
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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