ChemSpider 2D Image | Methyl N-[{[5-(6-amino-9H-purin-9-yl)-2,5-dihydro-2-furanyl]methoxy}(phenoxy)phosphoryl]alaninate | C20H23N6O6P

Methyl N-[{[5-(6-amino-9H-purin-9-yl)-2,5-dihydro-2-furanyl]methoxy}(phenoxy)phosphoryl]alaninate

  • Molecular FormulaC20H23N6O6P
  • Average mass474.407 Da
  • Monoisotopic mass474.141663 Da
  • ChemSpider ID23167732

More details:

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

Alanine, N-[[[5-(6-amino-9H-purin-9-yl)-2,5-dihydro-2-furanyl]methoxy]phenoxyphosphinyl]-, methyl ester [ACD/Index Name]
Methyl N-[{[5-(6-amino-9H-purin-9-yl)-2,5-dihydro-2-furanyl]methoxy}(phenoxy)phosphoryl]alaninate [ACD/IUPAC Name]
methyl N-[{[5-(6-amino-9H-purin-9-yl)-2,5-dihydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]alaninate
Methyl-N-[{[5-(6-amino-9H-purin-9-yl)-2,5-dihydro-2-furanyl]methoxy}(phenoxy)phosphoryl]alaninat [German] [ACD/IUPAC Name]
N-[{[5-(6-Amino-9H-purin-9-yl)-2,5-dihydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]alaninate de méthyle [French] [ACD/IUPAC Name]
2-{[5-(6-Amino-purin-9-yl)-2,5-dihydro-furan-2-ylmethoxy]-phenoxy-phosphorylamino}-propionic acid methyl ester

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

Density: 1.6±0.1 g/cm3
Boiling Point: 670.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.84
ACD/KOC (pH 5.5): 177.29
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.12
ACD/KOC (pH 7.4): 182.41
Polar Surface Area: 163 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 305.8±7.0 cm3

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