ChemSpider 2D Image | Ethyl (3R,4R,5S)-5-amino-4-[(1-~11~C)ethanoylamino]-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate | C1511CH28N2O4

Ethyl (3R,4R,5S)-5-amino-4-[(1-11C)ethanoylamino]-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate

  • Molecular FormulaC1511CH28N2O4
  • Average mass311.405 Da
  • Monoisotopic mass311.216339 Da
  • ChemSpider ID23313034
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3R,4R,5S)-5-Amino-4-[(1-11C)éthanoylamino]-3-(3-pentanyloxy)-1-cyclohexène-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 5-amino-3-(1-ethylpropoxy)-4-[(1-oxoethyl-1-11C)amino]-, ethyl ester, (3R,4R,5S)- [ACD/Index Name]
Ethyl (3R,4R,5S)-5-amino-4-[(1-11C)ethanoylamino]-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
ethyl (3R,4R,5S)-5-amino-4-[(1-11C)ethanoylamino]-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
Ethyl-(3R,4R,5S)-5-amino-4-[(1-11C)ethanoylamino]-3-(3-pentanyloxy)-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
ethyl (3R,4R,5S)-4-[carbonyl-11C]acetamido-5-amino-3-(1-ethylpropoxy)-cyclohex-1-ene-1-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.502
Molar Refractivity: 84.7±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 286.8±5.0 cm3

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