ChemSpider 2D Image | {2-[9-Hydroxy-8-oxo-2,6-diazabicyclo[5.2.0]nona-1(9),6-dien-2-yl]ethyl}phosphonic acid | C9H13N2O5P

{2-[9-Hydroxy-8-oxo-2,6-diazabicyclo[5.2.0]nona-1(9),6-dien-2-yl]ethyl}phosphonic acid

  • Molecular FormulaC9H13N2O5P
  • Average mass260.184 Da
  • Monoisotopic mass260.056213 Da
  • ChemSpider ID23171430

More details:

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

{2-[9-Hydroxy-8-oxo-2,6-diazabicyclo[5.2.0]nona-1(9),6-dien-2-yl]ethyl}phosphonic acid [ACD/IUPAC Name]
{2-[9-Hydroxy-8-oxo-2,6-diazabicyclo[5.2.0]nona-1(9),6-dien-2-yl]ethyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {2-[9-hydroxy-8-oxo-2,6-diazabicyclo[5.2.0]nona-1(9),6-dién-2-yl]éthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-(9-hydroxy-8-oxo-2,6-diazabicyclo[5.2.0]nona-6,9-dien-2-yl)ethyl]- [ACD/Index Name]
[2-(8,9-Dioxo-2,6-diaza-bicyclo[5.2.0]non-1(7)-en-2-yl)-ethyl]-phosphonic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 508.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.2±6.0 kJ/mol
Flash Point: 261.3±32.9 °C
Index of Refraction: 1.730
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -5.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 95.6±7.0 dyne/cm
Molar Volume: 142.9±7.0 cm3

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