ChemSpider 2D Image | (4S)-4-{[(4R)-4-Amino-5-hexenoyl]amino}-5-hexenoic acid | C12H20N2O3

(4S)-4-{[(4R)-4-Amino-5-hexenoyl]amino}-5-hexenoic acid

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID34983489

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-{[(4R)-4-Amino-5-hexenoyl]amino}-5-hexenoic acid [ACD/IUPAC Name]
(4S)-4-{[(4R)-4-Amino-5-hexenoyl]amino}-5-hexensäure [German] [ACD/IUPAC Name]
5-Hexenoic acid, 4-[[(4R)-4-amino-1-oxo-5-hexen-1-yl]amino]-, (4S)- [ACD/Index Name]
Acide (4S)-4-{[(4R)-4-amino-5-hexenoyl]amino}-5-hexénoïque [French] [ACD/IUPAC Name]
4-((4-AMINOHEX-5-ENOYL)AMINO)HEX-5-ENOIC ACID
794466-81-2 [RN]
UNII-02O9I4PZ2B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 488.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 249.1±28.7 °C
Index of Refraction: 1.505
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -2.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 221.8±3.0 cm3

Click to predict properties on the Chemicalize site


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