ChemSpider 2D Image | (2R,8S)-5,8,11,11-Tetrahydroxy-2-[(11Z)-11-icosenoyloxy]-5,11-dioxido-4,6,10-trioxa-5lambda~5~,11lambda~5~-diphosphaundec-1-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C46H82O13P2

(2R,8S)-5,8,11,11-Tetrahydroxy-2-[(11Z)-11-icosenoyloxy]-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC46H82O13P2
  • Average mass905.083 Da
  • Monoisotopic mass904.523071 Da
  • ChemSpider ID74878179

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,8S)-5,8,11,11-Tetrahydroxy-2-[(11Z)-11-icosenoyloxy]-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R,8S)-5,8,11,11-Tetrahydroxy-2-[(11Z)-11-icosenoyloxy]-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (2R,8S)-5,8,11,11-tétrahydroxy-2-[(11Z)-11-icosenoyloxy]-5,11-dioxydo-4,6,10-trioxa-5λ5,11λ5-diphosphaundéc-1-yle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2R)-3-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy)phosphoryl]oxy}propoxyphosphonic acid
[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid
PGP(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 893.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.4±6.0 kJ/mol
Flash Point: 493.9±37.1 °C
Index of Refraction: 1.506
Molar Refractivity: 244.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 3
ACD/LogP: 13.84
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 947.89
ACD/KOC (pH 5.5): 238.26
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 177.82
ACD/KOC (pH 7.4): 44.69
Polar Surface Area: 215 Å2
Polarizability: 96.7±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 821.0±3.0 cm3

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