ChemSpider 2D Image | 9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-methoxy-3,9-dihydro-2H-purin-2-imine | C11H18N5O13P3

9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-methoxy-3,9-dihydro-2H-purin-2-imine

  • Molecular FormulaC11H18N5O13P3
  • Average mass521.208 Da
  • Monoisotopic mass521.011414 Da
  • ChemSpider ID57270168

More details:

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

2H-Purin-2-imine, 9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-3,9-dihydro-6-methoxy- [ACD/Index Name]
9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-methoxy-3,9-dihydro-2H-purin-2-imine [ACD/IUPAC Name]
9-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-methoxy-3,9-dihydro-2H-purin-2-imin [German] [ACD/IUPAC Name]
9-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-6-méthoxy-3,9-dihydro-2H-purin-2-imine [French] [ACD/IUPAC Name]
63642-16-0 [RN]
O(6)-Methyldeoxyguanosine triphosphate

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

Density: 2.4±0.1 g/cm3
Boiling Point: 895.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 495.1±37.1 °C
Index of Refraction: 1.825
Molar Refractivity: 94.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -6.11
ACD/LogD (pH 5.5): -10.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 294 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 155.7±7.0 dyne/cm
Molar Volume: 216.8±7.0 cm3

Click to predict properties on the Chemicalize site


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