ChemSpider 2D Image | Ethyl (3S,4S,5R)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate | C16H28N2O4

Ethyl (3S,4S,5R)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate

  • Molecular FormulaC16H28N2O4
  • Average mass312.405 Da
  • Monoisotopic mass312.204895 Da
  • ChemSpider ID22937727

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4S,5R)-4-Acétamido-5-amino-3-(3-pentanyloxy)-1-cyclohexène-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3S,4S,5R)- [ACD/Index Name]
Ethyl (3S,4S,5R)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Ethyl-(3S,4S,5R)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 473.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 240.0±28.7 °C
Index of Refraction: 1.502
Molar Refractivity: 84.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 22.46
Polar Surface Area: 91 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 286.8±5.0 cm3

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