Found 23 results

Search term: MF = 'C_{46}H_{81}O_{10}P'
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C46H81O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC46H81O10P
  • Average mass825.103 Da
  • Monoisotopic mass824.556763 Da
  • ChemSpider ID113377360

  • 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-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(icosanoyloxy)propyl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxoeicosyl)oxy]propyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-eicosanoyl-glycero-3-phospho-(1'-sn-glycerol)
PG(20:0_20:5)
PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
PG(40:5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 828.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.0±6.0 kJ/mol
Flash Point: 454.9±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 233.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.32
ACD/LogD (pH 5.5): 8.45
ACD/BCF (pH 5.5): 232962.86
ACD/KOC (pH 5.5): 25686.54
ACD/LogD (pH 7.4): 8.37
ACD/BCF (pH 7.4): 197031.70
ACD/KOC (pH 7.4): 21724.76
Polar Surface Area: 159 Å2
Polarizability: 92.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 793.0±3.0 cm3

Click to predict properties on the Chemicalize site


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