beta-D-Galactopyranoside, methyl 3-O-(phenylmethyl)-, 2,4,6-triacetate
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Basic information
- CAS
81348-24-5- Standard SMILES
CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OCc2ccccc2)[C@H]1OC(C)=O- InChIKey
DQKIXWPNUCSKEQ-LCWAXJCOSA-N- Molecular formula
- C20H26O9
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.1576824
Names & identifiers
- Preferred name
- beta-D-Galactopyranoside, methyl 3-O-(phenylmethyl)-, 2,4,6-triacetate
- IUPAC
- [(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetate
- English name
- Methyl 2,4,6-tri-O-acetyl-3-O-benzyl-beta-D-galactopyranoside min. 98%
- Molecular formula
- C20H26O9
- Molecular weight
- 410.42
Names & synonyms
81348-24-5[(2R,3S,4S,5R,6R)-3,5-Diacetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetateSCHEMBL20658513beta-D-Galactopyranoside, methyl 3-O-(phenylmethyl)-, 2,4,6-triacetate|A-D-Galactopyranoside, methyl 3-O-(phenylmethyl)-, 2,4,6-triacetate[(2R,3S,4S,5R,6R)-3,5-diacetoxy-4-benzyloxy-6-methoxy-tetrahydropyran-2-yl]methyl acetate(2R,3S,4S,5R,6R)-2-(acetoxymethyl)-4-(benzyloxy)-6-methoxytetrahydro-2H-pyran-3,5-diyl diacetateMethyl 2,4,6-tri-O-acetyl-3-O-benzyl-β-D-galactopyranosideMethyl 2,4,6-tri-O-acetyl-3-O-benzyl-beta-D-galactopyranosideβ-D-Galactopyranoside, methyl 3-O-(phenylmethyl)-, 2,4,6-triacetateMethyl 2,4,6-tri-O-acetyl-3-O-benzyl-beta-D-galactopyranoside min. 98%
Database identifiers
- CAS
81348-24-5- PubChem CID
- 14462572
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Melting point
- 122.2 °C · 122.2 °C(Solv: ethanol (64-17-5))
- Boiling point
- 489.3 · 489.3±45.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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