Found 10 results

Search term: MF = 'C_{47}H_{80}O_{2}'
ChemSpider 2D Image | (3beta)-Stigmast-5-en-3-yl (10E,12Z)-10,12-octadecadienoate | C47H80O2

(3β)-Stigmast-5-en-3-yl (10E,12Z)-10,12-octadecadienoate

  • Molecular FormulaC47H80O2
  • Average mass677.137 Da
  • Monoisotopic mass676.615845 Da
  • ChemSpider ID9654264

  • 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

(10E,12Z)-10,12-Octadécadiénoate de (3β)-stigmast-5-én-3-yle [French] [ACD/IUPAC Name]
(3β)-Stigmast-5-en-3-yl (10E,12Z)-10,12-octadecadienoate [ACD/IUPAC Name]
(3β)-Stigmast-5-en-3-yl-(10E,12Z)-10,12-octadecadienoat [German] [ACD/IUPAC Name]
10,12-Octadecadienoic acid, (3β)-stigmast-5-en-3-yl ester, (10E,12Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 696.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 375.8±13.2 °C
Index of Refraction: 1.515
Molar Refractivity: 212.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 19.05
ACD/LogD (pH 5.5): 17.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 705.5±5.0 cm3

Click to predict properties on the Chemicalize site


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