ChemSpider 2D Image | 1-O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-beta-D-erythro-hexopyranose | C47H83O13P

1-O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-β-D-erythro-hexopyranose

  • Molecular FormulaC47H83O13P
  • Average mass887.128 Da
  • Monoisotopic mass886.557129 Da
  • ChemSpider ID7968647
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres


More details:






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

1-O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-β-D-erythro-hexopyranose [ACD/IUPAC Name]
1-O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-β-D-erythro-hexopyranose [German] [ACD/IUPAC Name]
1-O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-β-D-érythro-hexopyranose [French] [ACD/IUPAC Name]
β-D-erythro-Hexopyranose, 1-O-[hydroxy[(2R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propoxy]phosphinyl]- [ACD/Index Name]
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-β-D-glucose)
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))

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

LMGP14010001 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 899.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.5±6.0 kJ/mol
Flash Point: 498.0±37.1 °C
Index of Refraction: 1.525
Molar Refractivity: 240.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 14.59
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 83322.45
ACD/KOC (pH 5.5): 12185.44
ACD/LogD (pH 7.4): 7.81
ACD/BCF (pH 7.4): 72900.58
ACD/KOC (pH 7.4): 10661.30
Polar Surface Area: 208 Å2
Polarizability: 95.3±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 784.2±5.0 cm3

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