ChemSpider 2D Image | ITP | C10H15N4O14P3

ITP

  • Molecular FormulaC10H15N4O14P3
  • Average mass508.166 Da
  • Monoisotopic mass507.979767 Da
  • ChemSpider ID8265
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

132-06-9 [RN]
205-046-7 [EINECS]
212A76R77X
5'-ITP
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-3,9-dihydro-6H-purin-6-on
Inosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
Inosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
Inosine 5'-(tetrahydrogen triphosphate) (8CI,9CI)
Inosine 5'-triphosphate
Inosine triphosphate
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

bmse000255 [DBID]
C00081 [DBID]
CHEBI:16039 [DBID]
  • Miscellaneous
    • Chemical Class:

      The inosine phosphate that has a triphosphate group at the 5'-position. It is an intermediate in the metabolism of purine. ChEBI CHEBI:16039

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 947.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 526.6±37.1 °C
Index of Refraction: 1.886
Molar Refractivity: 88.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.06
ACD/LogD (pH 5.5): -11.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 193.7±7.0 dyne/cm
Molar Volume: 192.9±7.0 cm3

Click to predict properties on the Chemicalize site