ChemSpider 2D Image | (3beta,9beta)-9,19-Cyclolanost-24-en-3-yl (9Z)-9-octadecenoate | C48H82O2

(3β,9β)-9,19-Cyclolanost-24-en-3-yl (9Z)-9-octadecenoate

  • Molecular FormulaC48H82O2
  • Average mass691.164 Da
  • Monoisotopic mass690.631470 Da
  • ChemSpider ID81367581

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,9β)-9,19-Cyclolanost-24-en-3-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(3β,9β)-9,19-Cyclolanost-24-en-3-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (3β,9β)-9,19-cyclolanost-24-én-3-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (3β,9β)-9,19-cyclolanost-24-en-3-yl ester, (9Z)- [ACD/Index Name]
137067-13-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 696.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.8±13.2 °C
Index of Refraction: 1.520
Molar Refractivity: 215.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 19.60
ACD/LogD (pH 5.5): 18.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 85.4±0.5 10-24cm3
Surface Tension: 39.2±5.0 dyne/cm
Molar Volume: 708.8±5.0 cm3

Click to predict properties on the Chemicalize site


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