Basic information
- CAS
6697-87-6- Standard SMILES
CCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
XXSHCJSIEFYOFQ-UHFFFAOYSA-N- Molecular formula
- C16H24O10
- Average molar mass
- 376.36 g/mol
- Monoisotopic mass
- 376.13694697
Names & identifiers
- Preferred name
- (3,4,5-Triacetyloxy-6-ethoxyoxan-2-yl)methyl acetate
- IUPAC
- (3,4,5-triacetyloxy-6-ethoxyoxan-2-yl)methyl acetate
- English name
- 1-O-Ethyl-β-D-glucopyranose 2,3,4,6-tetraacetate
- Molecular formula
- C16H24O10
- Molecular weight
- 376.36
Names & synonyms
NSC1701566697-87-6SCHEMBL22201507DTXSID00305305NSC-170156Ethyl 2,3,4,6-tetra-O-acetylhexopyranosideβ-D-Glucopyranoside, ethyl, 2,3,4,6-tetraacetate1-O-Ethyl-β-D-glucopyranose 2,3,4,6-tetraacetate(3,4,5-triacetyloxy-6-ethoxyoxan-2-yl)methyl acetateEthyl 2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranoside
Database identifiers
- CAS
6697-87-6- PubChem CID
- 298245
- DTXSID
DTXSID00305305
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Melting point
- 107 · 107-108 °C
- Boiling point
- 421 · 421.0±45.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
Related reactions
1 records
Compound notes
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