1-[2,3-Dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione

HCID 319664

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Basic information

CAS: 78795-27-4
Standard SMILES: Cc1cn(C2CC(CO)C(O)C2O)c(=O)[nH]c1=O
InChIKey: OHFMYSNQKZBRNM-UHFFFAOYSA-N
Molecular formula: C11H16N2O5
Average molar mass: 256.25 g/mol
Monoisotopic mass: 256.10592162

Names & identifiers

Preferred name: 1-[2,3-Dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione
IUPAC: 1-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione

Names & synonyms

78795-27-4NSC264394CHEMBL284409SCHEMBL29689252DTXSID20312930NSC-2643941-[2,3-Dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione

Database identifiers

CAS: 78795-27-4
PubChem CID: 319664
DTXSID: DTXSID20312930
ChEMBL: CHEMBL284409

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 110 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 408

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