2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-3-O-(methylsulfonyl)-beta-D-threo-pentofuranosyl)-5-methyl-
Basic information
- CAS
94919-65-0- Standard SMILES
Cc1cn([C@H]2C[C@@H](OS(C)(=O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
FUTVTSDLQPMPRT-IWSPIJDZSA-N- Molecular formula
- C11H16N2O7S
- Average molar mass
- 320.32 g/mol
- Monoisotopic mass
- 320.06782203
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-3-O-(methylsulfonyl)-beta-D-threo-pentofuranosyl)-5-methyl-
- IUPAC
- [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
Names & synonyms
3'-Mesyl-2'-dT3'-Mesyl-thymidine B-D-threo94919-65-02,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-3-O-(methylsulfonyl)-beta-D-threo-pentofuranosyl)-5-methyl-SCHEMBL9014639CHEMBL2114306DTXSID20241690[(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] methanesulfonate1-[2-Deoxy-3-O-(methanesulfonyl)-beta-D-threo-pentofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-3-O-(methylsulfonyl)-.beta.-D-threo-pentofuranosyl]-5-methyl-
Database identifiers
- CAS
94919-65-0- PubChem CID
- 451841
- DTXSID
DTXSID20241690- ChEMBL
CHEMBL2114306- Nikkaji
- J1.607.814J
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…