ChemSpider 2D Image | trans-4-({[(E)-1-Amino-2-sulfanylvinyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid | C15H24N2O6S

trans-4-({[(E)-1-Amino-2-sulfanylvinyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid

  • Molecular FormulaC15H24N2O6S
  • Average mass360.426 Da
  • Monoisotopic mass360.135498 Da
  • ChemSpider ID35035610

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-({[(E)-1-amino-2-sulfanylvinyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[[(E)-1-amino-2-mercaptoethenyl](4-carboxybutyl)amino]carbonyl]oxy]-, trans- [ACD/Index Name]
trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid
trans-4-({[(E)-1-Amino-2-sulfanylvinyl](4-carboxybutyl)carbamoyl}oxy)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-({[(E)-1-Amino-2-sulfanylvinyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid [ACD/IUPAC 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: 583.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 306.8±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 267.8±5.0 cm3

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