ChemSpider 2D Image | {(2E)-3-[6-Amino-9-(2-phenylethyl)-9H-purin-8-yl]-2-propen-1-yl}phosphonic acid | C16H18N5O3P

{(2E)-3-[6-Amino-9-(2-phenylethyl)-9H-purin-8-yl]-2-propen-1-yl}phosphonic acid

  • Molecular FormulaC16H18N5O3P
  • Average mass359.320 Da
  • Monoisotopic mass359.114716 Da
  • ChemSpider ID24718107

  • Double-bond stereo - Double-bond stereo

More details:

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

{(2E)-3-[6-Amino-9-(2-phenylethyl)-9H-purin-8-yl]-2-propen-1-yl}phosphonic acid [ACD/IUPAC Name]
{(2E)-3-[6-Amino-9-(2-phenylethyl)-9H-purin-8-yl]-2-propen-1-yl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {(2E)-3-[6-amino-9-(2-phényléthyl)-9H-purin-8-yl]-2-propén-1-yl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(2E)-3-[6-amino-9-(2-phenylethyl)-9H-purin-8-yl]-2-propen-1-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519996/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 716.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.4±35.7 °C
Index of Refraction: 1.709
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 73.1±7.0 dyne/cm
Molar Volume: 238.6±7.0 cm3

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