CID 13871610
Basic information
- CAS
15384-58-4- Standard SMILES
CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](O)[C@H]1OCc1ccccc1- InChIKey
FYUXMZUFURHCOX-XLSXTYDTSA-N- Molecular formula
- C21H24O6
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- CID 13871610
- IUPAC
- (4aR,6S,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
- English name
- (2-O-Benzyl-4,6-O-benzylidene) methyl-alpha-D-glucopyranoside
- Molecular formula
- C21H24O6
- Molecular weight
- 372.41
Names & synonyms
15384-58-4(4Ar,6S,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-olSCHEMBL3145673(2-O-Benzyl-4,6-O-benzylidene) methyl-alpha-D-glucopyranosideα-D-Glucopyranoside, methyl 2-O-(phenylmethyl)-4,6-O-(phenylmethylene)-
Database identifiers
- CAS
15384-58-4- Nikkaji
- J997.500D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 541.1 · 541.1±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.67 · 12.67±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…