ChemSpider 2D Image | {[(2E)-4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-2-buten-1-yl]phosphoryl}bis(oxymethylene) bis(2,2-dimethylpropanoate) | C21H31N4O8P

{[(2E)-4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-2-buten-1-yl]phosphoryl}bis(oxymethylene) bis(2,2-dimethylpropanoate)

  • Molecular FormulaC21H31N4O8P
  • Average mass498.467 Da
  • Monoisotopic mass498.187958 Da
  • ChemSpider ID28646414

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(2E)-4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-2-buten-1-yl]phosphoryl}bis(oxymethylen)-bis(2,2-dimethylpropanoat) [German] [ACD/IUPAC Name]
{[(2E)-4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-2-buten-1-yl]phosphoryl}bis(oxymethylene) bis(2,2-dimethylpropanoate) [ACD/IUPAC Name]
Bis(2,2-diméthylpropanoate) de {[(2E)-4-(6-oxo-1,6-dihydro-9H-purin-9-yl)-2-butén-1-yl]phosphoryl}bis(oxyméthylène) [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, [[[(2E)-4-(1,6-dihydro-6-oxo-9H-purin-9-yl)-2-buten-1-yl][(2,2-dimethyl-1-oxopropoxy)methoxy]phosphinyl]oxy]methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.4±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 80.05
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 76.87
Polar Surface Area: 157 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 379.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement