inosine 5'-(tetrahydrogen triphosphate)

The Inosine5'-(tetrahydrogen triphosphate), with CAS registry number 132-06-9, has the systematic name of inosine 5'-(tetrahydrogen triphosphate). This chemical is an inosine nucleotide containing three phosphate groups esterified to the sugar moiety. And the chemical formula of this chemical is C₁₀H₁₅N₄O₁₄P₃. What's more, its EINECS is 205-046-7.

Physical properties of Inosine5'-(tetrahydrogen triphosphate): (1)ACD/LogP: -4.98; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -10.47; (4)ACD/LogD (pH 7.4): -10.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 18; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 223.43 Å²; (13)Index of Refraction: 1.885; (14)Molar Refractivity: 88.74 cm³; (15)Molar Volume: 192.9 cm³; (16)Polarizability: 35.18×10^-24cm³; (17)Surface Tension: 193.6 dyne/cm; (18)Density: 2.63 g/cm³; (19)Flash Point: 555.5 °C; (20)Enthalpy of Vaporization: 152.01 kJ/mol; (21)Boiling Point: 994.9 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n1cnc2c1N\C=N/C2=O)[C@H](O)[C@@H]3O
(2)InChI: InChI=1/C10H15N4O14P3/c15-6-4(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/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
(3)InChIKey: HAEJPQIATWHALX-KQYNXXCUBI
(4)Std. InChI: InChI=1S/C10H15N4O14P3/c15-6-4(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/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
(5)Std. InChIKey: HAEJPQIATWHALX-KQYNXXCUSA-N