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Search term: FQOLSYDHGRECKO-WDZFZDKYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-7-[(2-Carboxy-2-oxoethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-heptenoic acid | C16H23NO6S

(2Z)-7-[(2-Carboxy-2-oxoethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-heptenoic acid

  • Molecular FormulaC16H23NO6S
  • Average mass357.422 Da
  • Monoisotopic mass357.124603 Da
  • ChemSpider ID23111408

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-7-[(2-Carboxy-2-oxoethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-heptenoic acid [ACD/IUPAC Name]
(2Z)-7-[(2-Carboxy-2-oxoethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-heptensäure [German] [ACD/IUPAC Name]
2-Heptenoic acid, 7-[(2-carboxy-2-oxoethyl)thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-7-[(2-carboxy-2-oxoéthyl)sulfanyl]-2-{[(2,2-diméthylcyclopropyl)carbonyl]amino}-2-hepténoïque [French] [ACD/IUPAC Name]
(2Z)-7-[(2-carboxy-2-oxoethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hept-2-enoic acid
7-(2-Carboxy-2-oxo-ethylsulfanyl)-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL417431/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 331.8±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 274.0±3.0 cm3

Click to predict properties on the Chemicalize site


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