ChemSpider 2D Image | N-Hexanoyl-L-homocysteine | C10H19NO3S

N-Hexanoyl-L-homocysteine

  • Molecular FormulaC10H19NO3S
  • Average mass233.328 Da
  • Monoisotopic mass233.108566 Da
  • ChemSpider ID25057702

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Homocysteine, N-(1-oxohexyl)- [ACD/Index Name]
N-Hexanoyl-L-homocystein [German] [ACD/IUPAC Name]
N-Hexanoyl-L-homocysteine [ACD/IUPAC Name]
N-Hexanoyl-L-homocystéine [French] [ACD/IUPAC Name]
(2S)-2-hexanamido-4-sulfanylbutanoic acid
CYK

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 451.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 227.1±27.3 °C
Index of Refraction: 1.501
Molar Refractivity: 61.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 208.6±3.0 cm3

Click to predict properties on the Chemicalize site


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