ChemSpider 2D Image | (3beta,22E)-Stigmasta-5,22-dien-3-yl (9Z)-9-hexadecenoate | C45H76O2

(3β,22E)-Stigmasta-5,22-dien-3-yl (9Z)-9-hexadecenoate

  • Molecular FormulaC45H76O2
  • Average mass649.084 Da
  • Monoisotopic mass648.584534 Da
  • ChemSpider ID58828386

  • 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,22E)-Stigmasta-5,22-dien-3-yl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(3β,22E)-Stigmasta-5,22-dien-3-yl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (3β,22E)-stigmasta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
1377184-66-1 [RN]
9-Hexadecenoic acid, (3β,22E)-stigmasta-5,22-dien-3-yl ester, (9Z)- [ACD/Index Name]

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

3C0B3B1GL6 [DBID]
UNII:3C0B3B1GL6 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 671.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.6±16.0 °C
Index of Refraction: 1.516
Molar Refractivity: 203.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 17.99
ACD/LogD (pH 5.5): 16.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 673.5±5.0 cm3

Click to predict properties on the Chemicalize site


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