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Search term: KHODXOPCYKZTAP-JYRVWZFOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-8-[(2-methoxy-2-oxoethyl)sulfanyl]-2-octenoic acid | C17H27NO5S

(2Z)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-8-[(2-methoxy-2-oxoethyl)sulfanyl]-2-octenoic acid

  • Molecular FormulaC17H27NO5S
  • Average mass357.465 Da
  • Monoisotopic mass357.160980 Da
  • ChemSpider ID23111534

  • 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}-8-[(2-methoxy-2-oxoethyl)sulfanyl]-2-octenoic acid [ACD/IUPAC Name]
(2Z)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-8-[(2-methoxy-2-oxoethyl)sulfanyl]-2-octensäure [German] [ACD/IUPAC Name]
2-Octenoic acid, 2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-8-[(2-methoxy-2-oxoethyl)thio]-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-{[(2,2-diméthylcyclopropyl)carbonyl]amino}-8-[(2-méthoxy-2-oxoéthyl)sulfanyl]-2-octénoïque [French] [ACD/IUPAC Name]
(2Z)-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-8-[(2-methoxy-2-oxoethyl)sulfanyl]oct-2-enoic acid
2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-8-methoxycarbonylmethylsulfanyl-oct-2-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL276162/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 302.2±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 6.84
ACD/KOC (pH 5.5): 52.78
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

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