Found 1 result

Search term: 113376842 (Found by CSID)
ChemSpider 2D Image | (16R,22S)-19,22,23-Trihydroxy-19-oxido-13-oxo-14,18,20-trioxa-19lambda~5~-phosphatricosan-16-yl docosanoate | C41H81O10P

(16R,22S)-19,22,23-Trihydroxy-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphatricosan-16-yl docosanoate

  • Molecular FormulaC41H81O10P
  • Average mass765.050 Da
  • Monoisotopic mass764.556763 Da
  • ChemSpider ID113376842

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(16R,22S)-19,22,23-Trihydroxy-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphatricosan-16-yl docosanoate [ACD/IUPAC Name]
(16R,22S)-19,22,23-Trihydroxy-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphatricosan-16-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (16R,22S)-19,22,23-trihydroxy-13-oxo-19-oxydo-14,18,20-trioxa-19λ5-phosphatricosan-16-yle [French] [ACD/IUPAC Name]
Docosanoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxotridecyl)oxy]methyl]ethyl ester [ACD/Index Name]
1-tridecanoyl-2-docosanoyl-glycero-3-phospho-(1'-sn-glycerol)
PG(13:0/22:0)
PG(13:0_22:0)
PG(35:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 787.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 430.3±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 210.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.62
ACD/LogD (pH 5.5): 9.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 112466.95
ACD/LogD (pH 7.4): 9.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 95117.52
Polar Surface Area: 159 Å2
Polarizability: 83.4±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 742.4±3.0 cm3

Click to predict properties on the Chemicalize site


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