1-(t-2,c-3-Dihydroxymethyl-r-1-cyclopropyl)thymine
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Basic information
- CAS
132398-83-5- Standard SMILES
Cc1cn(C2[C@@H](CO)[C@@H]2CO)c(=O)[nH]c1=O- InChIKey
XESNPUIEMJHYRT-BQBZGAKWSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- 1-(t-2,c-3-Dihydroxymethyl-r-1-cyclopropyl)thymine
- IUPAC
- 1-[(2S,3S)-2,3-bis(hydroxymethyl)cyclopropyl]-5-methylpyrimidine-2,4-dione
- English name
- Aids002190
- Molecular formula
- C10H14N2O4
- Molecular weight
- 226.22916
Names & synonyms
132398-83-52,3-diOHCH2CyPrT1-(t-2,c-3-Dihydroxymethyl-r-1-cyclopropyl)thymine2,4(1H,3H)-Pyrimidinedione, 1-(2,3-bis(hydroxymethyl)cyclopropyl)-5-methyl-, (1alpha,2alpha,3beta)-DTXSID109276582,4(1H,3H)-Pyrimidinedione, 1-[2,3-bis(hydroxymethyl)cyclopropyl]-5-methyl-, (1.alpha.,2.alpha.,3.beta.)-1-[(2S,3S)-2,3-Bis(hydroxymethyl)cyclopropyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one1-[(2S,3S)-2,3-bis(hydroxymethyl)cyclopropyl]-5-methyl-pyrimidine-2,4-dione1-[2,3-Bis(hydroxymethyl)cyclopropyl]-4-hydroxy-5-methylpyrimidin-2(1H)-oneAids002190Aids-002190
Database identifiers
- CAS
132398-83-5- PubChem CID
- 452676
- DTXSID
DTXSID10927658- Nikkaji
- J352.983E
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
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Compound notes
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