ChemSpider 2D Image | 9-{5-O-[({[2-(2-Carboxy-4-methyl-1,3-thiazol-5-yl)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine | C17H22N6O12P2S

9-{5-O-[({[2-(2-Carboxy-4-methyl-1,3-thiazol-5-yl)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC17H22N6O12P2S
  • Average mass596.402 Da
  • Monoisotopic mass596.049133 Da
  • ChemSpider ID24808131

More details:

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

9-{5-O-[({[2-(2-Carboxy-4-methyl-1,3-thiazol-5-yl)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[({[2-(2-Carboxy-4-methyl-1,3-thiazol-5-yl)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[({[2-(2-Carboxy-4-méthyl-1,3-thiazol-5-yl)éthoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[2-(2-carboxy-4-methyl-5-thiazolyl)ethoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]pentofuranosyl]- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 981.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.9±3.0 kJ/mol
Flash Point: 547.4±37.1 °C
Index of Refraction: 1.839
Molar Refractivity: 122.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -7.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 122.3±7.0 dyne/cm
Molar Volume: 276.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement