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Search term: XQJUAFPRJBEZFD-WZUFQYTHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-6-[(2-Amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-hexenoic acid | C15H24N2O5S

(2Z)-6-[(2-Amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-hexenoic acid

  • Molecular FormulaC15H24N2O5S
  • Average mass344.427 Da
  • Monoisotopic mass344.140594 Da
  • ChemSpider ID23111515

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-6-[(2-Amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-hexenoic acid [ACD/IUPAC Name]
(2Z)-6-[(2-Amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-hexensäure [German] [ACD/IUPAC Name]
2-Hexenoic acid, 6-[(2-amino-2-carboxyethyl)thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-6-[(2-amino-2-carboxyéthyl)sulfanyl]-2-{[(2,2-diméthylcyclopropyl)carbonyl]amino}-2-hexénoïque [French] [ACD/IUPAC Name]
(2Z)-6-[(2-amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hex-2-enoic acid
6-(2-Amino-2-carboxy-ethylsulfanyl)-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-hex-2-enoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 344.0±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 264.5±3.0 cm3

Click to predict properties on the Chemicalize site


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