ChemSpider 2D Image | (2S)-3-(Decanoyloxy)-2-hydroxypropyl (5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoate | C33H56O8

(2S)-3-(Decanoyloxy)-2-hydroxypropyl (5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoate

  • Molecular FormulaC33H56O8
  • Average mass580.793 Da
  • Monoisotopic mass580.397522 Da
  • ChemSpider ID117213691

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-3-(Decanoyloxy)-2-hydroxypropyl (5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoate [ACD/IUPAC Name]
(2S)-3-(Decanoyloxy)-2-hydroxypropyl-(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoat [German] [ACD/IUPAC Name]
(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-Trihydroxy-7,9,11,13-icosatétraénoate de (2S)-3-(decanoyloxy)-2-hydroxypropyle [French] [ACD/IUPAC Name]
7,9,11,13-Eicosatetraenoic acid, 5,6,15-trihydroxy-, (2S)-2-hydroxy-3-[(1-oxodecyl)oxy]propyl ester, (5R,6R,7E,9E,11Z,13E,15R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 723.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 218.1±26.4 °C
Index of Refraction: 1.515
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 67350.97
ACD/KOC (pH 5.5): 99473.93
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67350.45
ACD/KOC (pH 7.4): 99473.16
Polar Surface Area: 134 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 546.2±3.0 cm3

Click to predict properties on the Chemicalize site


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