ChemSpider 2D Image | Dibenzyl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate | C36H41N3O6

Dibenzyl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID401279

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{Iminobis[(2S,3R)-3-hydroxy-1-phényl-4,2-butanediyl]}biscarbamate de dibenzyle [French] [ACD/IUPAC Name]
Carbamic acid, N,N'-[iminobis[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3,1-propanediyl]]bis-, bis(phenylmethyl) ester [ACD/Index Name]
Dibenzyl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate [ACD/IUPAC Name]
Dibenzyl-{iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butandiyl]}biscarbamat [German] [ACD/IUPAC Name]
(R-(R*,S*))-[Iminobis[2-hydroxy-1-(phenylmethyl)-3,1-propanediyl]]bis[carbamic acid], bis(phenylmethyl ester)
[(1S,2R)-1-Benzyl-3-((2R,3S)-3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-2-hydroxy-propyl]-carbamic acid benzyl ester

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

AIDS006378 [DBID]
AIDS-006378 [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: 816.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.6±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 172.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 23.91
ACD/KOC (pH 5.5): 53.08
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 852.84
ACD/KOC (pH 7.4): 1893.13
Polar Surface Area: 129 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 499.4±3.0 cm3

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