Found 14 results

Search term: MF = 'C_{47}H_{83}O_{10}P'
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl henicosanoate | C47H83O10P

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

  • Molecular FormulaC47H83O10P
  • Average mass839.130 Da
  • Monoisotopic mass838.572388 Da
  • ChemSpider ID113377391

  • 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-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl henicosanoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]propyl ester [ACD/Index Name]
Hénicosanoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyle [French] [ACD/IUPAC Name]
1-heneicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(20:5_21:0)
PG(21:0/20:5(5Z,8Z,11Z,14Z,17Z))
PG(41:5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 836.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.3±6.0 kJ/mol
Flash Point: 459.9±37.1 °C
Index of Refraction: 1.501
Molar Refractivity: 238.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 14.85
ACD/LogD (pH 5.5): 8.83
ACD/BCF (pH 5.5): 456790.03
ACD/KOC (pH 5.5): 41592.75
ACD/LogD (pH 7.4): 8.76
ACD/BCF (pH 7.4): 386355.00
ACD/KOC (pH 7.4): 35179.33
Polar Surface Area: 159 Å2
Polarizability: 94.6±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 809.5±3.0 cm3

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