Basic information
- CAS
140132-56-5- Standard SMILES
Cc1cn([C@H]2C=C[C@@H](OCP(=O)(O)O)C2)c(=O)[nH]c1=O- InChIKey
FPPFSGUPHHAWNU-DTWKUNHWSA-N- Molecular formula
- C11H15N2O6P
- Average molar mass
- 302.22 g/mol
- Monoisotopic mass
- 302.0667732
Names & identifiers
- Preferred name
- Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(hydrogen methylphosphonate)
- IUPAC
- [(1S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopent-2-en-1-yl]oxymethylphosphonic acid
Names & synonyms
140132-56-5Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(hydrogen methylphosphonate)({[(1s,4r)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopent-2-en-1-yl]oxy}methyl)phosphonic acidCHEMBL123340SCHEMBL9148964DTXSID20161243[(1S,4R)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclopent-2-en-1-yl]oxymethylphosphonic acid
Database identifiers
- CAS
140132-56-5- PubChem CID
- 475352
- DTXSID
DTXSID20161243- ChEMBL
CHEMBL123340
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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