[(1R,4S)-4-(2-amino-1-hydroxy-6-oxopurin-9-yl)cyclopent-2-en-1-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid

Base Information

• Chemical Name: [(1R,4S)-4-(2-amino-1-hydroxy-6-oxopurin-9-yl)cyclopent-2-en-1-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
• CAS No.: 121864-74-2
• Molecular Formula: C11H16 N5 O11 P3
• Molecular Weight: 487.193
• Mol file: 121864-74-2.mol

Synonyms:[(1R,4S)-4-(2-amino-1-hydroxy-6-oxopurin-9-yl)cyclopent-2-en-1-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid;Triphosphoric acid, P-((4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl) ester, cis-(+-)-

Chemical Property of [(1R,4S)-4-(2-amino-1-hydroxy-6-oxopurin-9-yl)cyclopent-2-en-1-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 890.5°Cat760mmHg
• Flash Point: 492.3°C
• PSA: 278.84000
• Density: 2.37g/cm³
• LogP: 0.74350
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 487.00591734
• Heavy Atom Count: 30
• Complexity: 920

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C=CC1N2C=NC3=C2N=C(N(C3=O)O)N)CP(=O)(O)OP(=O)(O)OP(=O)(O)O
• Isomeric SMILES: C1[C@H](C=C[C@H]1N2C=NC3=C2N=C(N(C3=O)O)N)CP(=O)(O)OP(=O)(O)OP(=O)(O)O

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