ChemSpider 2D Image | BOC-ABU-ONP | C15H20N2O6

BOC-ABU-ONP

  • Molecular FormulaC15H20N2O6
  • Average mass324.329 Da
  • Monoisotopic mass324.132141 Da
  • ChemSpider ID29367823

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)butanoate de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate [ACD/IUPAC Name]
4-Nitrophenyl-(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoat [German] [ACD/IUPAC Name]
67708-97-8 [RN]
BOC-ABU-ONP
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 4-nitrophenyl ester, (2S)- [ACD/Index Name]
[67708-97-8] [RN]
4-NITROPHENYL (2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]BUTANOATE
4-NITROPHENYL (2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}BUTANOATE
5593-20-4 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 471.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 239.0±24.6 °C
Index of Refraction: 1.525
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.56
ACD/KOC (pH 5.5): 1068.40
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.52
ACD/KOC (pH 7.4): 1068.05
Polar Surface Area: 110 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 267.2±3.0 cm3

Click to predict properties on the Chemicalize site


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