ChemSpider 2D Image | Cholesteryl palmitate | C43H76O2

Cholesteryl palmitate

  • Molecular FormulaC43H76O2
  • Average mass625.062 Da
  • Monoisotopic mass624.584534 Da
  • ChemSpider ID215725

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl hexadecanoate
(3b)-Cholest-5-en-3-yl palmitate
(3β)-cholest-5-en-3-ol, 3-hexadecanoate
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-2-heptanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl palmitate
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-2-heptanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ylhexadecanoat
(3β)-cholest-5-en-3-yl hexadecanoate
(3β)-Cholest-5-en-3-yl palmitate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-ylhexadecanoat
(3β)-Cholest-5-en-3-ylpalmitat [German] [ACD/IUPAC Name]
210-002-5 [EINECS]
More...

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

ZR4D53AD57 [DBID]
bmse000544 [DBID]
C11251 [DBID]
C6072_SIGMA [DBID]
NSC59692 [DBID]
UNII:ZR4D53AD57 [DBID]
UNII-ZR4D53AD57 [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: 651.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.8±13.2 °C
Index of Refraction: 1.506
Molar Refractivity: 194.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 18.14
ACD/LogD (pH 5.5): 16.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 654.2±5.0 cm3

Click to predict properties on the Chemicalize site


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