ChemSpider 2D Image | (19R,31R,42Z,45Z)-22,25,28-Trihydroxy-31-[(9Z)-9-octadecenoyloxy]-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22lambda~5~,28lambda~5~-diphosphahenpentaconta-42,45-dien-19-yl (9Z,12Z)-9,12-octa decadienoate | C79H144O17P2

(19R,31R,42Z,45Z)-22,25,28-Trihydroxy-31-[(9Z)-9-octadecenoyloxy]-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphahenpentaconta-42,45-dien-19-yl (9Z,12Z)-9,12-octa decadienoate

  • Molecular FormulaC79H144O17P2
  • Average mass1427.926 Da
  • Monoisotopic mass1426.987915 Da
  • ChemSpider ID74855042

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(19R,31R,42Z,45Z)-22,25,28-Trihydroxy-31-[(9Z)-9-octadecenoyloxy]-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphahenpentaconta-42,45-dien-19-yl (9Z,12Z)-9,12-octa decadienoate [ACD/IUPAC Name]
(19R,31R,42Z,45Z)-22,25,28-Trihydroxy-31-[(9Z)-9-octadecenoyloxy]-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphahenpentaconta-42,45-dien-19-yl-(9Z,12Z)-9,12-octa decadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (19R,31R,42Z,45Z)-22,25,28-trihydroxy-31-[(9Z)-9-octadecenoyloxy]-16,34-dioxo-22,28-dioxydo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphahénpentaconta-4 2,45-dién-19-yle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (2R)-3-[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]-2-[[(9Z)-1-o xo-9-octadecen-1-yl]oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
1'-[1-(9Z,12Z-octadecadienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol
CL(16:018:118:2_18:2)
CL(70:5)

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: 1.0±0.1 g/cm3
Boiling Point: 1129.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.0±6.0 kJ/mol
Flash Point: 636.8±37.1 °C
Index of Refraction: 1.492
Molar Refractivity: 400.6±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 79
#Rule of 5 Violations: 3
ACD/LogP: 28.96
ACD/LogD (pH 5.5): 20.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 257 Å2
Polarizability: 158.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 1382.0±3.0 cm3

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