ChemSpider 2D Image | Bis(4-nitrophenyl) {(2E)-1-hydroxy-1-[(2E)-2-{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-1-pyrrolidinyl]-2-propanylidene}phosphoramidate | C24H29N4O10P

Bis(4-nitrophenyl) {(2E)-1-hydroxy-1-[(2E)-2-{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-1-pyrrolidinyl]-2-propanylidene}phosphoramidate

  • Molecular FormulaC24H29N4O10P
  • Average mass564.482 Da
  • Monoisotopic mass564.162109 Da
  • ChemSpider ID95716484

  • Double-bond stereo - Double-bond stereo

More details:

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

{(2E)-1-Hydroxy-1-[(2E)-2-{hydroxy[(2-méthyl-2-propanyl)oxy]méthylène}-1-pyrrolidinyl]-2-propanylidène}phosphoramidate de bis(4-nitrophényle) [French] [ACD/IUPAC Name]
Bis(4-nitrophenyl) {(2E)-1-hydroxy-1-[(2E)-2-{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-1-pyrrolidinyl]-2-propanylidene}phosphoramidate [ACD/IUPAC Name]
Bis(4-nitrophenyl)-{(2E)-1-hydroxy-1-[(2E)-2-{hydroxy[(2-methyl-2-propanyl)oxy]methylen}-1-pyrrolidinyl]-2-propanyliden}phosphoramidat [German] [ACD/IUPAC Name]
Phosphoramidic acid, N-[(1E)-2-[(2E)-2-[(1,1-dimethylethoxy)hydroxymethylene]-1-pyrrolidinyl]-2-hydroxy-1-methylethylidene]-, bis(4-nitrophenyl) ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 697.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.8±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 137.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 767.30
ACD/KOC (pH 5.5): 4042.59
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 767.19
ACD/KOC (pH 7.4): 4042.01
Polar Surface Area: 202 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 392.6±7.0 cm3

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