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Search term: XLLNBEIVAHTUJZ-WDZFZDKYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (2Z)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-hexenoic acid | C15H23NO5S

(2Z)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-hexenoic acid

  • Molecular FormulaC15H23NO5S
  • Average mass329.412 Da
  • Monoisotopic mass329.129700 Da
  • ChemSpider ID23111516
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-hexenoic acid [ACD/IUPAC Name]
(2Z)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-hexensäure [German] [ACD/IUPAC Name]
2-Hexenoic acid, 2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-6-[(2-methoxy-2-oxoethyl)thio]-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-{[(2,2-diméthylcyclopropyl)carbonyl]amino}-6-[(2-méthoxy-2-oxoéthyl)sulfanyl]-2-hexénoïque [French] [ACD/IUPAC Name]
(2Z)-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-6-[(2-methoxy-2-oxoethyl)sulfanyl]hex-2-enoic acid
2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-6-methoxycarbonylmethylsulfanyl-hex-2-enoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 289.4±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 14.16
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 269.3±3.0 cm3

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