ChemSpider 2D Image | (3alpha,25S)-26-Hydroxylanost-5-en-3-yl (9E)-9-hexadecenoate | C46H80O3

(3α,25S)-26-Hydroxylanost-5-en-3-yl (9E)-9-hexadecenoate

  • Molecular FormulaC46H80O3
  • Average mass681.126 Da
  • Monoisotopic mass680.610718 Da
  • ChemSpider ID8779951

  • 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

(3α,25S)-26-Hydroxylanost-5-en-3-yl (9E)-9-hexadecenoate [ACD/IUPAC Name]
(3α,25S)-26-Hydroxylanost-5-en-3-yl-(9E)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Hexadécénoate de (3α,25S)-26-hydroxylanost-5-én-3-yle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (3α,25S)-26-hydroxylanost-5-en-3-yl ester, (9E)- [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: 695.6±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 235.7±22.3 °C
Index of Refraction: 1.517
Molar Refractivity: 209.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 17.13
ACD/LogD (pH 5.5): 15.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 83.2±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 693.0±5.0 cm3

Click to predict properties on the Chemicalize site


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