ChemSpider 2D Image | (3S,4R,5R)-4-Acetamido-3-amino-5-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid | C14H24N2O4

(3S,4R,5R)-4-Acetamido-3-amino-5-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC14H24N2O4
  • Average mass284.351 Da
  • Monoisotopic mass284.173615 Da
  • ChemSpider ID26363242

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3s,4r,5r)-4-(Acetylamino)-3-Amino-5-(Pentan-3-Yloxy)cyclohex-1-Ene-1-Carboxylic Acid
(3S,4R,5R)-4-Acetamido-3-amino-5-(3-pentanyloxy)-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3S,4R,5R)-4-Acetamido-3-amino-5-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-3-amino-5-(1-ethylpropoxy)-, (3S,4R,5R)- [ACD/Index Name]
Acide (3S,4R,5R)-4-acétamido-3-amino-5-(3-pentanyloxy)-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
2H8

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.4±6.0 kJ/mol
Flash Point: 257.5±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 245.6±5.0 cm3

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