Basic information
- CAS
123920-40-1- Standard SMILES
C=C[C@@H](O)[C@H]1OC(OC)[C@H](OCc2ccccc2)C[C@@H]1OC- InChIKey
UVJYXUWUVBEINV-AKWQBFHWSA-N- Molecular formula
- C17H24O5
- Average molar mass
- 308.4 g/mol
Names & identifiers
- Preferred name
- (1R)-1-[(2R,3S,5R)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
- IUPAC
- (1R)-1-[(2R,3S,5R)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
- English name
- allo-Oct-7-enopyranoside, methyl 3,7,8-trideoxy-4-O-methyl-2-O-(phenylmethyl)-
- Molecular formula
- C17H24O5
- Molecular weight
- 308.37
Names & synonyms
allo-Oct-7-enopyranoside, methyl 3,7,8-trideoxy-4-O-methyl-2-O-(phenylmethyl)-allo-Oct-7-enopyranoside, methyl 3,7,8-trideoxy-4-O-methyl-2-O-(phenylmethyl)- (9CI)
Database identifiers
- CAS
123920-40-1
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 420.5 · 420.5±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 13.73 · 13.73±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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