Found 25 results

Search term: C40H79O10P (Found by molecular formula)
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyl henicosanoate | C40H79O10P

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

  • Molecular FormulaC40H79O10P
  • Average mass751.023 Da
  • Monoisotopic mass750.541077 Da
  • ChemSpider ID113377540

  • 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 henicosanoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxotridecyl)oxy]propyl ester [ACD/Index Name]
Hénicosanoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
1-heneicosanoyl-2-tridecanoyl-glycero-3-phospho-(1'-sn-glycerol)
PG(13:0_21:0)
PG(21:0/13:0)
PG(34:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 779.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 425.0±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 205.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.09
ACD/LogD (pH 5.5): 9.24
ACD/BCF (pH 5.5): 927566.88
ACD/KOC (pH 5.5): 69059.88
ACD/LogD (pH 7.4): 9.16
ACD/BCF (pH 7.4): 784477.25
ACD/KOC (pH 7.4): 58406.46
Polar Surface Area: 159 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 725.9±3.0 cm3

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