ChemSpider 2D Image | ITPγS | C10H15N4O13P3S

ITPγS

  • Molecular FormulaC10H15N4O13P3S
  • Average mass524.231 Da
  • Monoisotopic mass523.956909 Da
  • ChemSpider ID23310322

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-(Hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)inosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)inosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)inosine [French] [ACD/IUPAC Name]
77065-87-3 [RN]
9H-Purin-6-ol, 9-[5-O-[[[[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
ITPγS
({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(sulfanylidene)phosphonous acid
ITP??S

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.6±0.1 g/cm3
Boiling Point: 935.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 519.8±37.1 °C
Index of Refraction: 1.902
Molar Refractivity: 95.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.46
ACD/LogD (pH 5.5): -10.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 318 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 174.7±7.0 dyne/cm
Molar Volume: 204.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement