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

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

  • Molecular FormulaC24H29N4O10P
  • Average mass564.482 Da
  • Monoisotopic mass564.162109 Da
  • ChemSpider ID95564743

  • Double-bond stereo - Double-bond stereo

More details:

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

{(1Z)-1-Hydroxy-1-[(2E)-2-{hydroxy[(2-méthyl-2-propanyl)oxy]méthylène}-1-pyrrolidinyl]-1-propén-2-yl}phosphoramidate de bis(4-nitrophényle) [French] [ACD/IUPAC Name]
Bis(4-nitrophenyl) {(1Z)-1-hydroxy-1-[(2E)-2-{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-1-pyrrolidinyl]-1-propen-2-yl}phosphoramidate [ACD/IUPAC Name]
Bis(4-nitrophenyl)-{(1Z)-1-hydroxy-1-[(2E)-2-{hydroxy[(2-methyl-2-propanyl)oxy]methylen}-1-pyrrolidinyl]-1-propen-2-yl}phosphoramidat [German] [ACD/IUPAC Name]
Phosphoramidic acid, N-[(Z)-2-[(2E)-2-[(1,1-dimethylethoxy)hydroxymethylene]-1-pyrrolidinyl]-2-hydroxy-1-methylethenyl]-, 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: 682.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.8±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 194.65
ACD/KOC (pH 5.5): 1451.50
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.64
ACD/KOC (pH 7.4): 1660.25
Polar Surface Area: 202 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 393.4±3.0 cm3

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