3-[2-Amino-3-(4-fluorophenyl)propanoylamino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
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Basic information
- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](NC(=O)C(N)Cc2ccc(F)cc2)[C@H]1O- InChIKey
WSARYAFUYJEXDD-KOFNTXMLSA-N- Molecular formula
- C19H20FN7O5
- Average molar mass
- 445.4 g/mol
Names & identifiers
- Preferred name
- 3-[2-Amino-3-(4-fluorophenyl)propanoylamino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
- IUPAC
- (2S,3S,4R,5R)-3-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
Names & synonyms
SCHEMBL10887152WSARYAFUYJEXDD-KOFNTXMLSA-N(2S,3S,4R,5R)-3-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid1-(6-Amino-9H-purin-9-yl)-3-[beta-(4-fluorophenyl)-D,L-alanylamino]-1,3-dideoxy-beta-D-ribofuranuronic acid3-[2-Amino-3-(4-fluorophenyl)propanoylamino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
Database identifiers
- PubChem CID
- 476103
Properties
Computed structural propertiesFilling in
- XLogP
- -2.7
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
1 records
Compound notes
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