CID 15690606
Basic information
- CAS
135743-08-7- Standard SMILES
COc1ccc(C(=O)CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1- InChIKey
BZQNNZLRPDYICZ-VRCFELQOSA-N- Molecular formula
- C15H20O7
- Average molar mass
- 312.31 g/mol
Names & identifiers
- Preferred name
- CID 15690606
- IUPAC
- 1-(4-methoxyphenyl)-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethanone
- English name
- 1-(4-Methoxyphenyl)-2-(α-L-rhamnopyranosyloxy)ethanone
- Molecular formula
- C15H20O7
- Molecular weight
- 312.3151
Names & synonyms
135743-08-71-(4-Methoxyphenyl)-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethanoneIcariside D31-(4-Methoxyphenyl)-2-(α-L-rhamnopyranosyloxy)ethanoneEthanone, 2-[(6-deoxy-α-L-mannopyranosyl)oxy]-1-(4-methoxyphenyl)-
Database identifiers
- CAS
135743-08-7- Nikkaji
- J412.509F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 536.4 · 536.4±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.94 · 12.94±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…