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35908-14-6

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Basic Information
CAS No.: 35908-14-6
Name: 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-B-D-
Molecular Structure:
Molecular Structure of 35908-14-6 (5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-B-D-)
Formula: C9H13N4O7P
Molecular Weight: 320.19858
Synonyms: 4H-Furo[3,2-d]-1,3,2-dioxaphosphorin,1H-imidazole-4-carboxamide deriv.;5-Amino-1-b-D-ribofuranosylimidazole-4-carboxamide cyclic3',5'-phosphate;5-Amino-4-carboxamido-1-b-D-ribofuranosylimidazole 3',5'-cyclic phosphate;NSC371796;
EINECS: 252-787-7
Density: 2.46 g/cm3
Melting Point: >225 °C (dec.)
Boiling Point: 746.2 °C at 760 mmHg
Flash Point: 405.1 °C
Appearance: off-white solid
PSA: 181.96000
LogP: -0.38020
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Specification

The 1H-Imidazole-4-carboxamide,5-amino-1-(3,5-O-phosphinico-b-D-ribofuranosyl)- (9CI), also known as 5-Amino-1-(3,5-O-phosphinico-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide, is an organic compound with the formula C9H13N4O7P. It belongs to the product categories of Bases & Related Reagents; Inhibitors; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. Its EINECS registry number is 252-787-7. With the CAS registry number 35908-14-6, its IUPAC name is 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. What's more, this chemical is a cyclic nucleotides with protein kinase and phosphodiesterase activity.

Physical properties of 1H-Imidazole-4-carboxamide,5-amino-1-(3,5-O-phosphinico-b-D-ribofuranosyl)- (9CI): (1)#H bond acceptors: 11; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.923; (5)Molar Refractivity: 61.64 cm3; (6)Molar Volume: 130.1 cm3; (7)Surface Tension: 153.5 dyne/cm; (8)Density: 2.46 g/cm3; (9)Flash Point: 405.1 °C; (10)Enthalpy of Vaporization: 114.16 kJ/mol; (11)Boiling Point: 746.2 °C at 760 mmHg; (12)Vapour Pressure: 2.2E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2C(C(C(O2)N3C=NC(=C3N)C(=O)N)O)OP(=O)(O1)O
(2)Isomeric SMILES: C1C2C([C@H]([C@@H](O2)N3C=NC(=C3N)C(=O)N)O)OP(=O)(O1)O
(3)InChI: InChI=1S/C9H13N4O7P/c10-7-4(8(11)15)12-2-13(7)9-5(14)6-3(19-9)1-18-21(16,17)20-6/h2-3,5-6,9,14H,1,10H2,(H2,11,15)(H,16,17)/t3?,5-,6?,9-/m1/s1
(4)InChIKey: QQDWJBYNAORJHB-KFNVJBHYSA-N