ChemSpider 2D Image | Bis(2-methyl-2-propanyl) [(4-hydroxy-1,3-butanediyl)bis{imino[(2S)-3-(4-nitrophenyl)-1-oxo-1,2-propanediyl]}]biscarbamate | C32H44N6O11

Bis(2-methyl-2-propanyl) [(4-hydroxy-1,3-butanediyl)bis{imino[(2S)-3-(4-nitrophenyl)-1-oxo-1,2-propanediyl]}]biscarbamate

  • Molecular FormulaC32H44N6O11
  • Average mass688.725 Da
  • Monoisotopic mass688.306824 Da
  • ChemSpider ID8827568

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

[(4-Hydroxy-1,3-butanediyl)bis{imino[(2S)-3-(4-nitrophényl)-1-oxo-1,2-propanediyl]}]biscarbamate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) [(4-hydroxy-1,3-butanediyl)bis{imino[(2S)-3-(4-nitrophenyl)-1-oxo-1,2-propanediyl]}]biscarbamate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-[(4-hydroxy-1,3-butandiyl)bis{imino[(2S)-3-(4-nitrophenyl)-1-oxo-1,2-propandiyl]}]biscarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,9S)-4-(hydroxymethyl)-13,13-dimethyl-1,9-bis[(4-nitrophenyl)methyl]-2,8,11-trioxo-12-oxa-3,7,10-triazatetradec-1-yl]-, 1,1-dimethylethyl 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: 941.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 522.9±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 176.1±0.3 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.44
ACD/KOC (pH 5.5): 1723.72
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.32
ACD/KOC (pH 7.4): 1722.83
Polar Surface Area: 247 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 539.0±3.0 cm3

Click to predict properties on the Chemicalize site


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