(S)-7,8-Dihydro-8-oxoadenosine 5'-(methyl (2-pyrrolidinylcarbonyl)phosphoramidate)

Base Information

• Chemical Name: (S)-7,8-Dihydro-8-oxoadenosine 5'-(methyl (2-pyrrolidinylcarbonyl)phosphoramidate)
• CAS No.: 134966-01-1
• Molecular Formula: C16H24 N7 O8 P
• Molecular Weight: 473.38
• Mol file: 134966-01-1.mol

Synonyms:phosmidosine

Chemical Property of (S)-7,8-Dihydro-8-oxoadenosine 5'-(methyl (2-pyrrolidinylcarbonyl)phosphoramidate)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.618g/cm³
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 473.14239775
• Heavy Atom Count: 32
• Complexity: 777

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COP(=O)(NC(=O)C1CCCN1)OCC2C(C(C(O2)N3C4=NC=NC(=C4NC3=O)N)O)O
• Isomeric SMILES: COP(=O)(NC(=O)[C@@H]1CCCN1)OCC2C(C(C(O2)N3C4=NC=NC(=C4NC3=O)N)O)O