2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine
Basic information
- CAS
6157-85-3- Standard SMILES
NC(CNC=O)=N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
PMCOGCVKOAOZQM-XVFCMESISA-N- Molecular formula
- C8H16N3O8P
- Average molar mass
- 313.2 g/mol
- Monoisotopic mass
- 313.06750147
Names & identifiers
- Preferred name
- 2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine
- IUPAC
- [(2R,3S,4R,5R)-5-[(1-amino-2-formamidoethylidene)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Names & synonyms
((2R,3S,4R,5R)-5-(2-Formamidoacetimidamido)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate6157-85-35'-Phosphoribosyl-N-formylglycinamidine2-(Formamido)-N1-(5'-phosphoribosyl)acetamidineSCHEMBL4358717SCHEMBL29377093SCHEMBL29601624PMCOGCVKOAOZQM-XVFCMESISA-NQ3381514
Database identifiers
- CAS
6157-85-3- PubChem CID
- 440417
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Metabolite PathwaysPurine metabolism
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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