Found 11 results

Search term: MF = 'C_{49}H_{76}O_{3}'
ChemSpider 2D Image | (5Z,8E,11E,14E,17E)-20-[(4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]-5,8,11,14,17-icosap entaenoic acid | C49H76O3

(5Z,8E,11E,14E,17E)-20-[(4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]-5,8,11,14,17-icosap entaenoic acid

  • Molecular FormulaC49H76O3
  • Average mass713.126 Da
  • Monoisotopic mass712.579468 Da
  • ChemSpider ID17623540

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5Z,8E,11E,14E,17E)-20-[(4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]-5,8,11,14,17-icosap entaenoic acid [ACD/IUPAC Name]
(5Z,8E,11E,14E,17E)-20-[(4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]-5,8,11,14,17-icosap entaensäure [German] [ACD/IUPAC Name]
Acide (5Z,8E,11E,14E,17E)-20-[(4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptaméthyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadécahydro-4a(2H)-picényl]-5,8,11,14,17- icosapentaénoïque [French] [ACD/IUPAC 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: 755.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.6±6.0 kJ/mol
Flash Point: 424.5±29.4 °C
Index of Refraction: 1.558
Molar Refractivity: 221.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 16.01
ACD/LogD (pH 5.5): 13.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4747787.50
Polar Surface Area: 58 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 686.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement