ChemSpider 2D Image | (20R,26S)-23,26,27-Trihydroxy-23-oxido-17-oxo-18,22,24-trioxa-23lambda~5~-phosphaheptacosan-20-yl (9Z)-9-nonadecenoate | C42H81O10P

(20R,26S)-23,26,27-Trihydroxy-23-oxido-17-oxo-18,22,24-trioxa-23λ5-phosphaheptacosan-20-yl (9Z)-9-nonadecenoate

  • Molecular FormulaC42H81O10P
  • Average mass777.060 Da
  • Monoisotopic mass776.556763 Da
  • ChemSpider ID113376978

  • 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

(20R,26S)-23,26,27-Trihydroxy-23-oxido-17-oxo-18,22,24-trioxa-23λ5-phosphaheptacosan-20-yl (9Z)-9-nonadecenoate [ACD/IUPAC Name]
(20R,26S)-23,26,27-Trihydroxy-23-oxido-17-oxo-18,22,24-trioxa-23λ5-phosphaheptacosan-20-yl-(9Z)-9-nonadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Nonadécénoate de (20R,26S)-23,26,27-trihydroxy-17-oxo-23-oxydo-18,22,24-trioxa-23λ5-phosphaheptacosan-20-yle [French] [ACD/IUPAC Name]
9-Nonadecenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxoheptadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-heptadecanoyl-2-(9Z-nonadecenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(17:0/19:1(9Z))
PG(17:0_19:1)
PG(36:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 796.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 435.3±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 215.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.64
ACD/LogD (pH 5.5): 9.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 143979.58
ACD/LogD (pH 7.4): 9.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 121768.93
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 752.5±3.0 cm3

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