ChemSpider 2D Image | (2R,8S)-5,8,11,11-Tetrahydroxy-2-[(17-methyloctadecanoyl)oxy]-5,11-dioxido-4,6,10-trioxa-5lambda~5~,11lambda~5~-diphosphaundec-1-yl (5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoa te | C45H82O16P2

(2R,8S)-5,8,11,11-Tetrahydroxy-2-[(17-methyloctadecanoyl)oxy]-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl (5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoa te

  • Molecular FormulaC45H82O16P2
  • Average mass941.070 Da
  • Monoisotopic mass940.507813 Da
  • ChemSpider ID117229198

  • 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

(2R,8S)-5,8,11,11-Tetrahydroxy-2-[(17-methyloctadecanoyl)oxy]-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl (5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoa 
te [ACD/IUPAC Name]
(2R,8S)-5,8,11,11-Tetrahydroxy-2-[(17-methyloctadecanoyl)oxy]-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl-(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoa 
t [German] [ACD/IUPAC Name]
(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-Trihydroxy-7,9,11,13-icosatétraénoate de (2R,8S)-5,8,11,11-tétrahydroxy-2-[(17-méthyloctadecanoyl)oxy]-5,11-dioxydo-4,6,10-trioxa-5λ5,11λ5-diphosphaundéc ; -1-yle [French] [ACD/IUPAC Name]
7,9,11,13-Eicosatetraenoic acid, 5,6,15-trihydroxy-, (2R)-3-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-2-[(17-methyl-1-oxooctadecyl)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: 1.2±0.1 g/cm3
Boiling Point: 972.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.6±6.0 kJ/mol
Flash Point: 541.9±37.1 °C
Index of Refraction: 1.518
Molar Refractivity: 243.8±0.3 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 804.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement