Inosine 5'-(tetrahydrogen triphosphate), mixt. with adenosine 5'-(trihydrogen diphosphate) sodium salt, inosine and uridine 5'-(tetrahydrogen triphosphate)
[CAS# 75953-34-3]

Identification

• Name: Inosine 5'-(tetrahydrogen triphosphate), mixt. with adenosine 5'-(trihydrogen diphosphate) sodium salt, inosine and uridine 5'-(tetrahydrogen triphosphate)
• Synonyms: Sodium; (2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Olate; 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purin-6-One; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Oxo-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; Sodium
• Molecular Formula: C₃₉H₅₆N₁₅NaO₄₄P₈
• Molecular Weight: 1709.73
• CAS Registry Number: 75953-34-3
• SMILES: [N]2([C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO)C3=C(N=C2)C(=O)N=CN3.[C@@H]4(O)[C@H](O)[C@H](O[C@H]4[N]5C6=C(N=C5)C(=O)N=CN6)CO[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O.[C@H]7(O)[C@@H](O)[C@@H](O[C@@H]7CO[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O)N8C(=O)NC(=O)C=C8.[C@H]9(O)[C@@H](O[C@@H]([C@H]9[O-])CO[P](O[P](O)(O)=O)(O)=O)[N]%11C%10=NC=NC(=C%10N=C%11)N.[Na+]
• InChI: 1S/C10H14N5O10P2.C10H15N4O14P3.C10H12N4O5.C9H15N2O15P3.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;/h2-4,6-7,10,17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20);2-4,6-7,10,15-17H,1H2,(H,11,12,18);1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);/q-1;;;;+1/t3*4-,6-,7-,10-;4-,6-,7-,8-;/m1111./s1
• InChIKey: ZMOFTQHKNKDIRG-VAKCLHJYSA-N

Properties

• Boiling point: 994.9°C at 760 mmHg (Cal.)
• Flash point: 555.5°C (Cal.)