Methyl 2,4-di-O-acetyl-b-D-xylopyranoside
Basic information
- CAS
74162-08-6- Standard SMILES
CO[C@@H]1OC[C@@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O- InChIKey
IQLDLDAVSNIHGI-UTINFBMNSA-N- Molecular formula
- C10H16O7
- Average molar mass
- 248.23 g/mol
Names & identifiers
- Preferred name
- Methyl 2,4-di-O-acetyl-b-D-xylopyranoside
- IUPAC
- [(3R,4S,5R,6R)-5-acetyloxy-4-hydroxy-6-methoxyoxan-3-yl] acetate
- English name
- Methyl2,4-Di-O-acetyl-beta-D-xylopyranoside
- Molecular formula
- C10H16O7
- Molecular weight
- 248.23
Names & synonyms
Methyl 2,4-di-O-acetyl-b-D-xylopyranoside74162-08-6[(3R,4S,5R,6R)-5-acetyloxy-4-hydroxy-6-methoxyoxan-3-yl] acetateSCHEMBL29859478MM05240β-D-Xylopyranoside, methyl, 2,4-diacetate
Database identifiers
- CAS
74162-08-6- Nikkaji
- J924.665G
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 358.6 · 358.6±42.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.70(Predicted)
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Compound notes
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