(-)-3'-Epi-carba-thymidine

HCID 370697

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Basic information

CAS: 7236-51-3
Standard SMILES: Cc1cn(C2CC(O)C(CO)C2)c(=O)[nH]c1=O
InChIKey: ZOZRLTAJWLEGLG-UHFFFAOYSA-N
Molecular formula: C11H16N2O4
Average molar mass: 240.26 g/mol
Monoisotopic mass: 240.111007

Names & identifiers

Preferred name: (-)-3'-Epi-carba-thymidine
IUPAC: 1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione

Names & synonyms

(-)-3'-epi-carba-thymidineNSC644194D-carba TDTXSID0011380101-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dioneNSC-6441941-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1h,3h)-dioneNCI60_0149681-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione1-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-2,4(1H,3H)-pyrimidinedione

Database identifiers

CAS: 7236-51-3
PubChem CID: 370697
DTXSID: DTXSID001138010

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 380

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