Basic information
- Standard SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)C(OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO- InChIKey
HNJLGUNKGJTPBF-CQKMCIOPSA-N- Molecular formula
- C20H30FN4O16P
- Average molar mass
- 632.4 g/mol
- Monoisotopic mass
- 632.13784604
Names & identifiers
- Preferred name
- (3R,4R,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- IUPAC
- (3R,4R,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Names & synonyms
SCHEMBL29899155
Database identifiers
- PubChem CID
- 448383
Properties
Computed structural properties
- XLogP
- -6.7
- Topological polar surface area
- 321 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
33 records
Compound notes
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