Found 1 result

Search term: 113375446 (Found by CSID)
ChemSpider 2D Image | (16R)-22-Amino-19-hydroxy-19-oxido-13-oxo-14,18,20-trioxa-19lambda~5~-phosphadocosan-16-yl (11Z)-11-icosenoate | C38H74NO8P

(16R)-22-Amino-19-hydroxy-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphadocosan-16-yl (11Z)-11-icosenoate

  • Molecular FormulaC38H74NO8P
  • Average mass703.970 Da
  • Monoisotopic mass703.515198 Da
  • ChemSpider ID113375446

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11Z)-11-Icosénoate de (16R)-22-amino-19-hydroxy-13-oxo-19-oxydo-14,18,20-trioxa-19λ5-phosphadocosan-16-yle [French] [ACD/IUPAC Name]
(16R)-22-Amino-19-hydroxy-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphadocosan-16-yl (11Z)-11-icosenoate [ACD/IUPAC Name]
(16R)-22-Amino-19-hydroxy-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphadocosan-16-yl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxotridecyl)oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
1-tridecanoyl-2-(11Z-eicosenoyl)-glycero-3-phosphoethanolamine
PE(13:0/20:1(11Z))
PE(13:0_20:1)
PE(33:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 732.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 396.7±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 197.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.72
ACD/LogD (pH 5.5): 9.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 205653.05
ACD/LogD (pH 7.4): 9.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 165681.33
Polar Surface Area: 144 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 694.8±3.0 cm3

Click to predict properties on the Chemicalize site


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