Found 2 results

Search term: WXAHDXQUYVPLMW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (5xi)-12-chloroabieta-8(14),9(11),12-trien-18-oate | C21H29ClO2

Methyl (5ξ)-12-chloroabieta-8(14),9(11),12-trien-18-oate

  • Molecular FormulaC21H29ClO2
  • Average mass348.907 Da
  • Monoisotopic mass348.185608 Da
  • ChemSpider ID30650703

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5ξ)-12-Chloroabiéta-8(14),9(11),12-trién-18-oate de méthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS)- [ACD/Index Name]
Methyl (5ξ)-12-chloroabieta-8(14),9(11),12-trien-18-oate [ACD/IUPAC Name]
Methyl-(5ξ)-12-chlorabieta-8(14),9(11),12-trien-18-oat [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: 410.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 200.8±24.2 °C
Index of Refraction: 1.528
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 161355.13
ACD/KOC (pH 5.5): 185912.08
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 161355.13
ACD/KOC (pH 7.4): 185912.08
Polar Surface Area: 26 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 321.0±3.0 cm3

Click to predict properties on the Chemicalize site


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