ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C38H65O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC38H65O10P
  • Average mass712.891 Da
  • Monoisotopic mass712.431519 Da
  • ChemSpider ID113377135

  • 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-[(9Z)-9-tetradecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(14:1_18:4)
PG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))
PG(32:5)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 760.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.4±6.0 kJ/mol
Flash Point: 413.8±35.7 °C
Index of Refraction: 1.507
Molar Refractivity: 196.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 10.18
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 119.29
ACD/KOC (pH 5.5): 113.31
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 100.89
ACD/KOC (pH 7.4): 95.83
Polar Surface Area: 159 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 661.0±3.0 cm3

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