ChemSpider 2D Image | Dimethyl [(2-{3-[(4-nitrobenzoyl)amino]propyl}-1,3-dioxolan-2-yl)methyl]phosphonate | C16H23N2O8P

Dimethyl [(2-{3-[(4-nitrobenzoyl)amino]propyl}-1,3-dioxolan-2-yl)methyl]phosphonate

  • Molecular FormulaC16H23N2O8P
  • Average mass402.336 Da
  • Monoisotopic mass402.119202 Da
  • ChemSpider ID57442774

More details:

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

[(2-{3-[(4-Nitrobenzoyl)amino]propyl}-1,3-dioxolan-2-yl)méthyl]phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl [(2-{3-[(4-nitrobenzoyl)amino]propyl}-1,3-dioxolan-2-yl)methyl]phosphonate [ACD/IUPAC Name]
Dimethyl-[(2-{3-[(4-nitrobenzoyl)amino]propyl}-1,3-dioxolan-2-yl)methyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[[2-[3-[(4-nitrobenzoyl)amino]propyl]-1,3-dioxolan-2-yl]methyl]-, dimethyl ester [ACD/Index Name]
PHOSPHONIC ACID,[[2-[3-[(4-NITROBENZOYL)AMINO]PROPYL]-1,3-DIOXOLAN-2-YL]METHYL]-, DIMETHYLESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.5±25.9 °C
Index of Refraction: 1.523
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 62.25
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 62.25
Polar Surface Area: 139 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 310.8±3.0 cm3

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