ChemSpider 2D Image | (3S)-3,6-Bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoic acid | C16H30N2O6

(3S)-3,6-Bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoic acid

  • Molecular FormulaC16H30N2O6
  • Average mass346.419 Da
  • Monoisotopic mass346.210388 Da
  • ChemSpider ID74784971

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,6-Bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoic acid [ACD/IUPAC Name]
(3S)-3,6-Bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexansäure [German] [ACD/IUPAC Name]
Acide (3S)-3,6-bis({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)- [ACD/Index Name]
(3S)-3,6-bis({[(tert-butoxy)carbonyl]amino})hexanoic acid
MFCD31794558

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

Density: 1.1±0.1 g/cm3
Boiling Point: 518.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 267.2±28.7 °C
Index of Refraction: 1.478
Molar Refractivity: 88.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 21.86
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

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