ChemSpider 2D Image | (7Z,21R,27S)-24,27,30,30-Tetrahydroxy-24,30-dioxido-18-oxo-19,23,25,29-tetraoxa-24lambda~5~,30lambda~5~-diphosphatriacont-7-en-21-yl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C44H78O13P2

(7Z,21R,27S)-24,27,30,30-Tetrahydroxy-24,30-dioxido-18-oxo-19,23,25,29-tetraoxa-24λ5,30λ5-diphosphatriacont-7-en-21-yl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC44H78O13P2
  • Average mass877.030 Da
  • Monoisotopic mass876.491760 Da
  • ChemSpider ID35032705

  • 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

(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (7Z,21R,27S)-24,27,30,30-tétrahydroxy-18-oxo-24,30-dioxydo-19,23,25,29-tétraoxa-24λ5,30λ5-diphosphatriacont-7-én-21-yle [French] [ACD/IUPAC Name]
(7Z,21R,27S)-24,27,30,30-Tetrahydroxy-24,30-dioxido-18-oxo-19,23,25,29-tetraoxa-24λ5,30λ5-diphosphatriacont-7-en-21-yl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(7Z,21R,27S)-24,27,30,30-Tetrahydroxy-24,30-dioxido-18-oxo-19,23,25,29-tetraoxa-24λ5,30λ5-diphosphatriacont-7-en-21-yl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2S)-2-hydroxy-3-{[hydroxy(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxyphosphoryl]oxy}propoxyphosphonic acid
[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid
1-Vaccenoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
3-Sn-phosphatidyl-1'-sn-glycerol 3'-phosphoric acid
PGP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
PGP(18:1/20:4)
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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: 877.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.9±6.0 kJ/mol
Flash Point: 484.7±37.1 °C
Index of Refraction: 1.508
Molar Refractivity: 234.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 12.89
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 285.61
ACD/KOC (pH 5.5): 100.96
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 53.58
ACD/KOC (pH 7.4): 18.94
Polar Surface Area: 215 Å2
Polarizability: 93.1±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 788.0±3.0 cm3

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