ChemSpider 2D Image | 9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purine-6-thione | C10H15N4O13P3S

9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC10H15N4O13P3S
  • Average mass524.231 Da
  • Monoisotopic mass523.956909 Da
  • ChemSpider ID2858129

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(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
27652-34-2 [RN]
Inosine 5'-(tetrahydrogen triphosphate), 6-thio-
missing

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

NSC169530 [DBID]
NSC77464 [DBID]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 981.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.8±3.0 kJ/mol
Flash Point: 547.2±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: -3.33
ACD/LogD (pH 5.5): -10.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 174.7±7.0 dyne/cm
Molar Volume: 204.3±7.0 cm3

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