ChemSpider 2D Image | [(2-{[2-(6-Oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid | C12H21N5O8P2

[(2-{[2-(6-Oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid

  • Molecular FormulaC12H21N5O8P2
  • Average mass425.271 Da
  • Monoisotopic mass425.086548 Da
  • ChemSpider ID35035217

More details:

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

[(2-{[2-(6-Oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid [ACD/IUPAC Name]
[(2-{[2-(6-Oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)éthyl](2-phosphonoéthyl)amino}éthoxy)méthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[2-[[2-(1,6-dihydro-6-oxo-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino]ethoxy]methyl]- [ACD/Index Name]
3L8

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 90.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -5.52
ACD/LogD (pH 5.5): -8.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 101.6±7.0 dyne/cm
Molar Volume: 232.8±7.0 cm3

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