Found 51 results

Search term: MF = 'C_{42}H_{75}O_{10}P'
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9E)-9-octadecenoyloxy]propyl (6E,9E,12E)-6,9,12-octadecatrienoate | C42H75O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9E)-9-octadecenoyloxy]propyl (6E,9E,12E)-6,9,12-octadecatrienoate

  • Molecular FormulaC42H75O10P
  • Average mass771.013 Da
  • Monoisotopic mass770.509766 Da
  • ChemSpider ID59699560

  • 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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9E)-9-octadecenoyloxy]propyl (6E,9E,12E)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9E)-9-octadecenoyloxy]propyl-(6E,9E,12E)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6E,9E,12E)-6,9,12-Octadécatriénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9E)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(9E)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (6E,9E,12E)- [ACD/Index Name]
[(2S)-2,3-dihydroxypropoxy][(2R)-2-(octadec-9-enoyloxy)-3-(octadeca-6,9,12-trienoyloxy)propoxy]phosphinic acid
PG(18:3(6Z,9Z,12Z)/18:1(9Z))

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

Density: 1.1±0.1 g/cm3
Boiling Point: 795.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 434.8±35.7 °C
Index of Refraction: 1.499
Molar Refractivity: 215.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 12.99
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 25675.63
ACD/KOC (pH 5.5): 5298.46
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 21715.08
ACD/KOC (pH 7.4): 4481.16
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 733.4±3.0 cm3

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