Found 1 result

Search term: RKBOCYGCMVZAEZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,5alpha)-Cholesta-8,24-dien-3-yl (9Z)-9-hexadecenoate | C43H72O2

(3β,5α)-Cholesta-8,24-dien-3-yl (9Z)-9-hexadecenoate

  • Molecular FormulaC43H72O2
  • Average mass621.031 Da
  • Monoisotopic mass620.553223 Da
  • ChemSpider ID23107008

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5α)-Cholesta-8,24-dien-3-yl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(3β,5α)-Cholesta-8,24-dien-3-yl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (3β,5α)-cholesta-8,24-dién-3-yle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (3β,5α)-cholesta-8,24-dien-3-yl ester, (9Z)- [ACD/Index Name]
(2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-en-5-yl (9Z)-hexadec-9-enoate
(3β,5α)-cholesta-8,24-dien-3-yl (9Z)-hexadec-9-enoate
5α-cholesta-8,24-dien-3β-yl (9Z)-hexadec-9-enoate

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 657.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.5±19.0 °C
Index of Refraction: 1.518
Molar Refractivity: 193.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 17.38
ACD/LogD (pH 5.5): 15.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 76.8±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 639.3±5.0 cm3

Click to predict properties on the Chemicalize site


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