ChemSpider 2D Image | [4-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonic acid | C9H14N5O4P

[4-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonic acid

  • Molecular FormulaC9H14N5O4P
  • Average mass287.212 Da
  • Monoisotopic mass287.078339 Da
  • ChemSpider ID23117780

More details:






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

[4-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonic acid [ACD/IUPAC Name]
[4-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [4-(2-amino-6-hydroxy-9H-purin-9-yl)butyl]- [ACD/Index Name]
125330-94-1 [RN]
9-(4-Phosphonobutyl)guanine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 727.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.8±35.7 °C
Index of Refraction: 1.789
Molar Refractivity: 64.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -5.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 106.5±7.0 dyne/cm
Molar Volume: 151.8±7.0 cm3

Click to predict properties on the Chemicalize site






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