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Search term: 24769219 (Found by CSID)
ChemSpider 2D Image | 2-Aminoethyl (2R)-3-[(1Z)-1-hexadecen-1-yloxy]-2-hydroxypropyl hydrogen phosphate | C21H44NO6P

2-Aminoethyl (2R)-3-[(1Z)-1-hexadecen-1-yloxy]-2-hydroxypropyl hydrogen phosphate

  • Molecular FormulaC21H44NO6P
  • Average mass437.551 Da
  • Monoisotopic mass437.290619 Da
  • ChemSpider ID24769219

  • 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

2-Aminoethyl (2R)-3-[(1Z)-1-hexadecen-1-yloxy]-2-hydroxypropyl hydrogen phosphate [ACD/IUPAC Name]
2-Aminoethyl-(2R)-3-[(1Z)-1-hexadecen-1-yloxy]-2-hydroxypropylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2-aminoéthyle et de (2R)-3-[(1Z)-1-hexadécén-1-yloxy]-2-hydroxypropyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-aminoethyl (2R)-3-[(1Z)-1-hexadecen-1-yloxy]-2-hydroxypropyl ester [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYPROPOXY]PHOSPHINIC ACID
1-(1Z-Hexadecenyl)-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYPROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-hydroxypropoxyphosphinic acid
2-Azaniumylethyl [(2R)-3-[(E)-hexadec-1-enoxy]-2-hydroxy-propyl] phosphate
LysoPE(dm16:0e)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 292.6±32.9 °C
Index of Refraction: 1.486
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 14.43
ACD/KOC (pH 5.5): 45.76
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 11.72
ACD/KOC (pH 7.4): 37.17
Polar Surface Area: 121 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 411.1±3.0 cm3

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