[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid
Basic information
- CAS
129151-67-3- Standard SMILES
Cc1cn([C@H]2C[C@H](N)[C@@H](COCP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
IYEDSAYFOCCQOH-DJLDLDEBSA-N- Molecular formula
- C11H18N3O7P
- Average molar mass
- 335.25 g/mol
- Monoisotopic mass
- 335.08823692
Names & identifiers
- Preferred name
- [(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid
- IUPAC
- [(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethylphosphonic acid
Names & synonyms
129151-67-3AC1L9Q75CHEMBL3558666DTXSID00332353DiNa-5'-O-Phosphonomethyl-3'-NH2-dT[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid3'-Amino-3'-deoxy-5'-O-(phosphonomethyl)thymidineDisodium 5'-O-(Phosphonomethyl)-3'-amino-3'-deoxythymidineThymidine, 3'-amino-3'-deoxy-5'-O-(phosphonomethyl)-, disodium salt
Database identifiers
- CAS
129151-67-3- PubChem CID
- 452274
- DTXSID
DTXSID00332353- ChEMBL
CHEMBL3558666
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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