ChemSpider 2D Image | Bis(1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl)phosphinic acid | C42H51N4O8P

Bis(1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl)phosphinic acid

  • Molecular FormulaC42H51N4O8P
  • Average mass770.850 Da
  • Monoisotopic mass770.344421 Da
  • ChemSpider ID400647

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Acide bis(1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-méthylbutanoyl]amino}-2-phényléthyl)phosphinique [French] [ACD/IUPAC Name]
Bis(1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl)phosphinic acid [ACD/IUPAC Name]
Bis(1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl)phosphinsäure [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[[1-[hydroxy[1-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-2-phenylethyl]phosphinyl]-2-phenylethyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl est er [ACD/Index Name]
(Cbz-Val-NHBz)2P(O)OH

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

AIDS005463 [DBID]
AIDS-005463 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1040.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.5±3.0 kJ/mol
Flash Point: 583.3±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 209.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 37.89
ACD/KOC (pH 5.5): 72.46
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 8.94
ACD/KOC (pH 7.4): 17.10
Polar Surface Area: 182 Å2
Polarizability: 83.1±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 628.8±3.0 cm3

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