4-Acetylphenyl hexopyranoside

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Basic information

Standard SMILES: CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
InChIKey: GOZCEKPKECLKNO-UHFFFAOYSA-N
Molecular formula: C14H18O7
Average molar mass: 298.29 g/mol
Monoisotopic mass: 298.10525291

Names & identifiers

Preferred name: 4-Acetylphenyl hexopyranoside
IUPAC: 1-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

Names & synonyms

4-Acetylphenyl hexopyranoside1-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone1-(4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)ethanoneRefChem:2896664-Acetylphenyl-b-D-glucopyranosideSCHEMBL467773DTXSID30871745STK737740AKOS005524491SB48279DB-052236

Database identifiers

PubChem CID: 539591
DTXSID: DTXSID30871745

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 116 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 353

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Compound notes

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