ChemSpider 2D Image | Bis(1-{[(1Z)-2-{[(benzyloxy)carbonyl]amino}-1-hydroxy-3-methyl-1-buten-1-yl]amino}-2-phenylethyl)phosphinic acid | C42H51N4O8P

Bis(1-{[(1Z)-2-{[(benzyloxy)carbonyl]amino}-1-hydroxy-3-methyl-1-buten-1-yl]amino}-2-phenylethyl)phosphinic acid

  • Molecular FormulaC42H51N4O8P
  • Average mass770.850 Da
  • Monoisotopic mass770.344421 Da
  • ChemSpider ID95599226

More details:

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

Acide bis(1-{[(1Z)-2-{[(benzyloxy)carbonyl]amino}-1-hydroxy-3-méthyl-1-butén-1-yl]amino}-2-phényléthyl)phosphinique [French] [ACD/IUPAC Name]
Bis(1-{[(1Z)-2-{[(benzyloxy)carbonyl]amino}-1-hydroxy-3-methyl-1-buten-1-yl]amino}-2-phenylethyl)phosphinic acid [ACD/IUPAC Name]
Bis(1-{[(1Z)-2-{[(benzyloxy)carbonyl]amino}-1-hydroxy-3-methyl-1-buten-1-yl]amino}-2-phenylethyl)phosphinsäure [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1Z)-1-[hydroxy[[1-[hydroxy[1-[[(1Z)-1-hydroxy-3-methyl-2-[[(phenylmethoxy)carbonyl]amino]-1-buten-1-yl]amino]-2-phenylethyl]phosphinyl]-2-phenylethyl]amino]methylene]-2-methylpropyl ]-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 950.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.9±3.0 kJ/mol
Flash Point: 528.5±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 212.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 13.87
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 35577.75
ACD/KOC (pH 5.5): 13200.35
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 3163.47
ACD/KOC (pH 7.4): 1173.74
Polar Surface Area: 188 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 615.3±3.0 cm3

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