ChemSpider 2D Image | (19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22lambda~5~,28lambda~5~-diphosphaoctacosan-19-yl (9Z)-9-octadecenoate | C40H78O13P2

(19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22λ5,28λ5-diphosphaoctacosan-19-yl (9Z)-9-octadecenoate

  • Molecular FormulaC40H78O13P2
  • Average mass828.987 Da
  • Monoisotopic mass828.491760 Da
  • ChemSpider ID4446635

  • 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

(19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22λ5,28λ5-diphosphaoctacosan-19-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22λ5,28λ5-diphosphaoctacosan-19-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (19R,25S)-22,25,28,28-tétrahydroxy-16-oxo-22,28-dioxydo-17,21,23,27-tétraoxa-22λ5,28λ5-diphosphaoctacosan-19-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2S)-3-{[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid
[(2S)-3-({[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY](HYDROXY)PHOSPHORYL}OXY)-2-HYDROXYPROPOXY]PHOSPHONIC ACID
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
3-Sn-phosphatidyl-1'-sn-glycerol 3'-phosphoric acid
GPGroP(16:0/18:1(9Z))
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP05010001 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 846.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.9±6.0 kJ/mol
Flash Point: 465.9±37.1 °C
Index of Refraction: 1.490
Molar Refractivity: 216.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 13.04
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 4227.40
ACD/KOC (pH 5.5): 694.74
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 793.03
ACD/KOC (pH 7.4): 130.33
Polar Surface Area: 215 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 747.5±3.0 cm3

Click to predict properties on the Chemicalize site


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