ChemSpider 2D Image | {2-[8-Hydroxy-7-oxo-2,5-diazabicyclo[4.2.0]octa-1(8),5-dien-2-yl]ethyl}phosphonic acid | C8H11N2O5P

{2-[8-Hydroxy-7-oxo-2,5-diazabicyclo[4.2.0]octa-1(8),5-dien-2-yl]ethyl}phosphonic acid

  • Molecular FormulaC8H11N2O5P
  • Average mass246.157 Da
  • Monoisotopic mass246.040558 Da
  • ChemSpider ID23171431

More details:

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

{2-[8-Hydroxy-7-oxo-2,5-diazabicyclo[4.2.0]octa-1(8),5-dien-2-yl]ethyl}phosphonic acid [ACD/IUPAC Name]
{2-[8-Hydroxy-7-oxo-2,5-diazabicyclo[4.2.0]octa-1(8),5-dien-2-yl]ethyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {2-[8-hydroxy-7-oxo-2,5-diazabicyclo[4.2.0]octa-1(8),5-dién-2-yl]éthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-(8-hydroxy-7-oxo-2,5-diazabicyclo[4.2.0]octa-5,8-dien-2-yl)ethyl]- [ACD/Index Name]
[2-(7,8-Dioxo-2,5-diaza-bicyclo[4.2.0]oct-1(6)-en-2-yl)-ethyl]-phosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL309544/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 505.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.8±6.0 kJ/mol
Flash Point: 259.4±32.9 °C
Index of Refraction: 1.765
Molar Refractivity: 52.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -3.26
ACD/LogD (pH 5.5): -5.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 107.4±7.0 dyne/cm
Molar Volume: 126.8±7.0 cm3

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