Methyl 2,3,4,6,7-penta-O-acetylheptopyranoside

HCID 220193

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Basic information

CAS: 5329-52-2
Standard SMILES: COC1OC(C(COC(C)=O)OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: DQNITYPHTXMCTK-UHFFFAOYSA-N
Molecular formula: C18H26O12
Average molar mass: 434.4 g/mol
Monoisotopic mass: 434.14242626

Names & identifiers

Preferred name: Methyl 2,3,4,6,7-penta-O-acetylheptopyranoside
IUPAC: [2-acetyloxy-2-(3,4,5-triacetyloxy-6-methoxyoxan-2-yl)ethyl] acetate

Names & synonyms

5329-52-2Methyl 2,3,4,6,7-penta-O-acetylheptopyranosideNSC2563SCHEMBL8677734DTXSID90967870DQNITYPHTXMCTK-UHFFFAOYSA-NNSC-2563NSC224306NSC-224306Methyl 2,3,4,6,7-penta-O-acetylheptopyranoside #METHYL .BETA.-D-GLYCERO-D-GULO-HEPTOPYRANOSIDE, PENTAACETATEMethyl 2,3,4,6,7-penta-O-acetyl-.beta.-glycero-D-glucoheptopyranoside

Database identifiers

CAS: 5329-52-2
PubChem CID: 220193
DTXSID: DTXSID90967870

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 150 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 13
Heavy atoms: 30
Formal charge: 0
Complexity: 660

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