ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyl heptadecanoate | C36H71O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyl heptadecanoate

  • Molecular FormulaC36H71O10P
  • Average mass694.917 Da
  • Monoisotopic mass694.478455 Da
  • ChemSpider ID113377565

  • 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-(tridecanoyloxy)propyl heptadecanoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyl-heptadecanoat [German] [ACD/IUPAC Name]
Heptadécanoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxotridecyl)oxy]propyl ester [ACD/Index Name]
1-heptadecanoyl-2-tridecanoyl-glycero-3-phospho-(1'-sn-glycerol)
PG(13:0_17:0)
PG(17:0/13:0)
PG(30:0)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 743.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 403.7±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 187.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 11.97
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 60477.70
ACD/KOC (pH 5.5): 9783.13
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 51148.20
ACD/KOC (pH 7.4): 8273.96
Polar Surface Area: 159 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 659.9±3.0 cm3

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