Found 86 results

Search term: C42H73O11P (Found by molecular formula)
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propyl (9Z)-9-hexadecenoate | C42H73O11P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propyl (9Z)-9-hexadecenoate

  • Molecular FormulaC42H73O11P
  • Average mass784.996 Da
  • Monoisotopic mass784.489075 Da
  • ChemSpider ID117223656

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propyl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propyl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5Z,8Z,11Z)-13-(3-pentyl-2-oxiranyl)-5,8,11-tridecatrienoyl]oxy}propyle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(5Z,8Z,11Z)-1-oxo-13-(3-pentyloxiranyl)-5,8,11-tridecatrien-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 811.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.2±6.0 kJ/mol
Flash Point: 444.3±37.1 °C
Index of Refraction: 1.505
Molar Refractivity: 214.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 11.31
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 1752.45
ACD/KOC (pH 5.5): 775.57
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 1482.23
ACD/KOC (pH 7.4): 655.98
Polar Surface Area: 171 Å2
Polarizability: 85.2±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 725.2±3.0 cm3

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