ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(9E)-9-tetradecenoyloxy]-2-propanyl (15E)-15-tetracosenoate | C41H76O5

(2S)-1-Hydroxy-3-[(9E)-9-tetradecenoyloxy]-2-propanyl (15E)-15-tetracosenoate

  • Molecular FormulaC41H76O5
  • Average mass649.039 Da
  • Monoisotopic mass648.569275 Da
  • ChemSpider ID59697264

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(15E)-15-Tétracosénoate de (2S)-1-hydroxy-3-[(9E)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9E)-9-tetradecenoyloxy]-2-propanyl (15E)-15-tetracosenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9E)-9-tetradecenoyloxy]-2-propanyl-(15E)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (1S)-2-hydroxy-1-[[[(9E)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester, (15E)- [ACD/Index Name]
(2S)-1-hydroxy-3-(tetradec-9-enoyloxy)propan-2-yl tetracos-15-enoate
DG(14:1(9Z)/24:1(15Z)/0:0)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 687.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.2±6.0 kJ/mol
Flash Point: 188.3±16.7 °C
Index of Refraction: 1.477
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.49
ACD/LogD (pH 5.5): 13.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 697.4±3.0 cm3

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