Basic information
- Standard SMILES
CONc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
GWYJBOYUQUUQGN-BGIGGGFGSA-N- Molecular formula
- C19H19N5O5
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino)-2-(phenylethynyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methoxyamino)-2-(2-phenylethynyl)purin-9-yl]oxolane-3,4-diol
Names & synonyms
CHEMBL573030SCHEMBL4387417GWYJBOYUQUUQGN-BGIGGGFGSA-NBDBM50299699(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino)-2-(phenylethynyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol(4S,2R,3R,5R)-5-(hydroxymethyl)-2-[6-(methoxyamino)-2-(2-phenylethynyl)purin-9-yl]oxolane-3,4-diol
Database identifiers
- PubChem CID
- 10046345
- ChEMBL
CHEMBL573030
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 621
Related reactions
1 records
Compound notes
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