5-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazole-4-carboxamide

Base Information

• Chemical Name: 5-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazole-4-carboxamide
• CAS No.: 35908-14-6
• Molecular Formula: C9H13N4O7P
• Molecular Weight: 320.19858
• European Community (EC) Number: 252-787-7
• Mol file: 35908-14-6.mol

Synonyms:EINECS 252-787-7;5-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazole-4-carboxamide;35908-14-6;5-Amino-1-(3,5-O-phosphinico-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide;5-amino-1-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)imidazole-4-carboxamide;C9H13N4O7P;C9-H13-N4-O7-P;NSC 371796

Chemical Property of 5-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazole-4-carboxamide

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 2.2E-23mmHg at 25°C
• Melting Point: >225 °C (dec.)
• Refractive Index: 1.923
• Boiling Point: 746.2 °C at 760 mmHg
• Flash Point: 405.1 °C
• PSA: 181.96000
• Density: 2.46 g/cm³
• LogP: -0.38020
• Storage Temp.: −20°C
• Solubility.: Aqueous Base (Slightly)
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 320.05218576
• Heavy Atom Count: 21
• Complexity: 493

Purity/Quality:

97% ^*data from raw suppliers

AICAR3?,5?-CyclicPhosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(C(C(O2)N3C=NC(=C3N)C(=O)N)O)OP(=O)(O1)O
• Isomeric SMILES: C1C2C([C@H]([C@@H](O2)N3C=NC(=C3N)C(=O)N)O)OP(=O)(O1)O
• Uses: A cyclic nucleotides with protein kinase and phosphodiesterase activity