ChemSpider 2D Image | Benzyl 2-methyl-2-propanyl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate | C33H43N3O6

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

  • Molecular FormulaC33H43N3O6
  • Average mass577.711 Da
  • Monoisotopic mass577.315186 Da
  • ChemSpider ID422687

  • 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 benzyle et de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzyl 2-methyl-2-propanyl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate [ACD/IUPAC Name]
Benzyl-2-methyl-2-propanyl-{iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butandiyl]}biscarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, phenylmethyl ester [ACD/Index Name]
[R-(R*,S*)]-[Iminobis[2-hydroxyl-(phenylmethyl)-3,1-propandiyl]biscarbamic acid, 1,1-dimethylethyl phenymethyl ester

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

AIDS097246 [DBID]
AIDS-097246 [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: 763.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.5±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 162.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 11.61
ACD/KOC (pH 5.5): 31.59
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 411.37
ACD/KOC (pH 7.4): 1119.02
Polar Surface Area: 129 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 488.2±3.0 cm3

Click to predict properties on the Chemicalize site


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