ChemSpider 2D Image | Dibenzyl ([(2R,4R)-3-hydroxy-1,5-diphenyl-2,4-pentanediyl]bis{imino[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate | C43H52N4O7

Dibenzyl ([(2R,4R)-3-hydroxy-1,5-diphenyl-2,4-pentanediyl]bis{imino[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate

  • Molecular FormulaC43H52N4O7
  • Average mass736.896 Da
  • Monoisotopic mass736.383606 Da
  • ChemSpider ID8050943

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

([(2R,4R)-3-Hydroxy-1,5-diphényl-2,4-pentanediyl]bis{imino[(2S)-3-méthyl-1-oxo-1,2-butanediyl]})biscarbamate de dibenzyle [French] [ACD/IUPAC Name]
Dibenzyl ([(2R,4R)-3-hydroxy-1,5-diphenyl-2,4-pentanediyl]bis{imino[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate [ACD/IUPAC Name]
Dibenzyl-([(2R,4R)-3-hydroxy-1,5-diphenyl-2,4-pentandiyl]bis{imino[(2S)-3-methyl-1-oxo-1,2-butandiyl]})biscarbamat [German] [ACD/IUPAC Name]
D-threo-Pentitol, 1,2,4,5-tetradeoxy-2,4-bis[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-1,5-diphenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 956.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.9±3.0 kJ/mol
Flash Point: 532.4±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 207.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40987.67
ACD/KOC (pH 5.5): 69669.30
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40971.29
ACD/KOC (pH 7.4): 69641.53
Polar Surface Area: 155 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 621.6±3.0 cm3

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