[3,4,5-Triacetoxy-6-(2,4-dioxopyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate

HCID 373957

Notes Reactions

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Basic information

Standard SMILES: CC(=O)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: UALIWFYMJMVXDB-UHFFFAOYSA-N
Molecular formula: C18H22N2O11
Average molar mass: 442.4 g/mol

Names & identifiers

Preferred name: [3,4,5-Triacetoxy-6-(2,4-dioxopyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate
IUPAC: [3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate

Names & synonyms

NSC650989CHEMBL20034902,4(1H,3H)-Pyrimidinedione, 1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-NSC-650989NCI60_017823[3,4,5-triacetoxy-6-(2,4-dioxopyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate

Database identifiers

PubChem CID: 373957
ChEMBL: CHEMBL2003490

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 164 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 11
Rotatable bonds: 10
Heavy atoms: 31
Formal charge: 0
Complexity: 808

Related reactions

1 records

New reaction record

HRID 97642As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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