2,4(1H,3H)-Pyrimidinedione, 1-(3-deoxy-3-(hydroxymethyl)-beta-D-arabinofuranosyl)-5-methyl-
Basic information
- CAS
130351-55-2- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO)[C@@H](CO)[C@@H]2O)c(=O)[nH]c1=O- InChIKey
SAQLIIXINWYWJX-BDNRQGISSA-N- Molecular formula
- C11H16N2O6
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.10083623
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(3-deoxy-3-(hydroxymethyl)-beta-D-arabinofuranosyl)-5-methyl-
- IUPAC
- 1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
3'-Hydroxymethyl Ara-T130351-55-22,4(1H,3H)-Pyrimidinedione, 1-(3-deoxy-3-(hydroxymethyl)-beta-D-arabinofuranosyl)-5-methyl-3'-Deoxy-3'-C-(hydroxymethyl)-beta-D-arabino-pentofuranosyl thymineCHEMBL2112591DTXSID501564603'-Deoxy-3'-C-(hydroxymethyl)-.beta.-D-arabino-pentofuranosyl thymine1-[3-Deoxy-3-(hydroxymethyl)-beta-D-arabinofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-[3-deoxy-3-(hydroxymethyl)-.beta.-D-arabinofuranosyl]-5-methyl-
Database identifiers
- CAS
130351-55-2- PubChem CID
- 452409
- DTXSID
DTXSID50156460- ChEMBL
CHEMBL2112591- Nikkaji
- J343.690J
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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