ChemSpider 2D Image | Methyl (2-{(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3R,5S)-3-hydroxy-5-methyl(3-~14~C)-1-nonen-1-yl]octahydro-2-pentalenyl}ethoxy)acetate | C2214CH40O5

Methyl (2-{(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3R,5S)-3-hydroxy-5-methyl(3-14C)-1-nonen-1-yl]octahydro-2-pentalenyl}ethoxy)acetate

  • Molecular FormulaC2214CH40O5
  • Average mass398.553 Da
  • Monoisotopic mass398.290802 Da
  • ChemSpider ID13181149

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2-{(2R,3aS,4R,5R,6aS)-5-Hydroxy-4-[(1E,3R,5S)-3-hydroxy-5-méthyl(3-14C)-1-nonén-1-yl]octahydro-2-pentalényl}éthoxy)acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3R,5S)-3-hydroxy-5-methyl-1-nonen-1-yl-3-14C]-2-pentalenyl]ethoxy]-, methyl ester [ACD/Index Name]
Methyl (2-{(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3R,5S)-3-hydroxy-5-methyl(3-14C)-1-nonen-1-yl]octahydro-2-pentalenyl}ethoxy)acetate [ACD/IUPAC Name]
Methyl-(2-{(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3R,5S)-3-hydroxy-5-methyl(3-14C)-1-nonen-1-yl]octahydro-2-pentalenyl}ethoxy)acetat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.528
Molar Refractivity: 112.9±0.3 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: 44.8±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 366.6±3.0 cm3

Click to predict properties on the Chemicalize site


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