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132-06-9

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Basic Information
CAS No.: 132-06-9
Name: inosine 5'-(tetrahydrogen triphosphate)
Article Data: 8
Molecular Structure:
Molecular Structure of 132-06-9 (inosine 5'-(tetrahydrogen triphosphate))
Formula: C10H15N4O14P3
Molecular Weight: 508.169
Synonyms: 5'-ITP;ITP;Inosine 5'-triphosphate;Inosine triphosphate;
EINECS: 205-046-7
Density: 2.63 g/cm3
Boiling Point: 994.9 °C at 760 mmHg
Flash Point: 555.5 °C
PSA: 302.77000
LogP: -1.50560
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Specification

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