ChemSpider 2D Image | tert-butyl {[({2-[(6-amino-9H-purin-9-yl)oxy]ethoxy}methyl)(methoxy)phosphoryl]oxy}acetate | C15H24N5O7P

tert-butyl {[({2-[(6-amino-9H-purin-9-yl)oxy]ethoxy}methyl)(methoxy)phosphoryl]oxy}acetate

  • Molecular FormulaC15H24N5O7P
  • Average mass417.354 Da
  • Monoisotopic mass417.141327 Da
  • ChemSpider ID23125614

More details:

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

{[({2-[(6-Amino-9H-purin-9-yl)oxy]éthoxy}méthyl)(méthoxy)phosphoryl]oxy}acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {[({2-[(6-amino-9H-purin-9-yl)oxy]ethoxy}methyl)(methoxy)phosphoryl]oxy}acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{[({2-[(6-amino-9H-purin-9-yl)oxy]ethoxy}methyl)(methoxy)phosphoryl]oxy}acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[[[[2-[(6-amino-9H-purin-9-yl)oxy]ethoxy]methyl]methoxyphosphinyl]oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl {[({2-[(6-amino-9H-purin-9-yl)oxy]ethoxy}methyl)(methoxy)phosphoryl]oxy}acetate
{[2-(6-Amino-purin-9-yloxy)-ethoxymethyl]-methoxy-phosphinoyloxy}-acetic acid tert-butyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 580.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.7±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.44
ACD/KOC (pH 5.5): 82.31
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.73
ACD/KOC (pH 7.4): 89.24
Polar Surface Area: 160 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 288.0±7.0 cm3

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