Found 26 results

Search term: MF = 'C_{43}H_{74}O_{2}'
ChemSpider 2D Image | (3R,5Z,7E)-9,10-Secocholesta-5,7,10-trien-3-yl palmitate | C43H74O2

(3R,5Z,7E)-9,10-Secocholesta-5,7,10-trien-3-yl palmitate

  • Molecular FormulaC43H74O2
  • Average mass623.047 Da
  • Monoisotopic mass622.568909 Da
  • ChemSpider ID4943465

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,5Z,7E)-9,10-Secocholesta-5,7,10-trien-3-yl palmitate [ACD/IUPAC Name]
(3R,5Z,7E)-9,10-Secocholesta-5,7,10-trien-3-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl ester [ACD/Index Name]
Palmitate de (3R,5Z,7E)-9,10-sécocholesta-5,7,10-trién-3-yle [French] [ACD/IUPAC Name]
(1R,3Z)-3-{2-[(1R,3AS,4E,7AR)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE}-4-METHYLIDENECYCLOHEXYL HEXADECANOATE
13403-10-6 [RN]
9,10-Secocholesta-5,7,10(19)-trien-3-ol, hexadecanoate, (3β,5Z,7E)-
Cholecalciferol palmitate
vitamin D3 palmitate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 663.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.2±16.0 °C
Index of Refraction: 1.505
Molar Refractivity: 195.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 17.92
ACD/LogD (pH 5.5): 16.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 659.7±5.0 cm3

Click to predict properties on the Chemicalize site


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