ChemSpider 2D Image | 9-(5-O-{Hydroxy[(hydroxy{[hydroxy(methyl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-beta-D-ribofuranosyl)-3,9-dihydro-6H-purine-6-thione | C11H17N4O12P3S

9-(5-O-{Hydroxy[(hydroxy{[hydroxy(methyl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-D-ribofuranosyl)-3,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC11H17N4O12P3S
  • Average mass522.259 Da
  • Monoisotopic mass521.977661 Da
  • ChemSpider ID2301488

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6H-Purine-6-thione, 3,9-dihydro-9-[5-O-[hydroxy[[hydroxy[(hydroxymethylphosphinyl)oxy]phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
9-(5-O-{Hydroxy[(hydroxy{[hydroxy(methyl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-D-ribofuranosyl)-3,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
9-(5-O-{Hydroxy[(hydroxy{[hydroxy(methyl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-D-ribofuranosyl)-3,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
9-(5-O-{Hydroxy[(hydroxy{[hydroxy(méthyl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-D-ribofuranosyl)-3,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
(Snopp(CH2)P)2
5'-Inosinic acid, 6-thio-, monoanhydride with (phosphonomethyl)phosphonic acid
81536-59-6 [RN]
Thioinosine 5'-(β, γ-methylene)triphosphate

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

Density: 2.3±0.1 g/cm3
Boiling Point: 910.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.7±3.0 kJ/mol
Flash Point: 504.4±37.1 °C
Index of Refraction: 1.844
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.20
ACD/LogD (pH 5.5): -9.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 293 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 142.8±7.0 dyne/cm
Molar Volume: 222.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement