ChemSpider 2D Image | 9-{2-Deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl]-alpha-L-erythro-pentofuranosyl}-9H-purin-6-amine | C10H16N5O11P3S

9-{2-Deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl]-α-L-erythro-pentofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC10H16N5O11P3S
  • Average mass507.247 Da
  • Monoisotopic mass506.977997 Da
  • ChemSpider ID26354122

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-{2-Desoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl]-α-L-erythro-pentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{2-Désoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl]-α-L-érythro-pentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9-{2-Deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl]-α-L-erythro-pentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[2-deoxy-5-O-[(R)-hydroxy[[(R)-hydroxy(phosphonooxy)phosphinyl]oxy]phosphinothioyl]-α-L-erythro-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 903.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 500.2±37.1 °C
Index of Refraction: 1.891
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.33
ACD/LogD (pH 5.5): -9.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 163.5±7.0 dyne/cm
Molar Volume: 206.6±7.0 cm3

Click to predict properties on the Chemicalize site


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