ChemSpider 2D Image | (2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (13Z)-13-docosenoate | C27H54NO7P

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (13Z)-13-docosenoate

  • Molecular FormulaC27H54NO7P
  • Average mass535.694 Da
  • Monoisotopic mass535.363770 Da
  • ChemSpider ID24769372

  • 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

(13Z)-13-Docosénoate de (2R)-1-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester, (13Z)- [ACD/Index Name]
(13Z-docosenoyl)-lysophosphatidylethanolamine
(2-AMINOETHOXY)[(2R)-2-[(13Z)-DOCOS-13-ENOYLOXY]-3-HYDROXYPROPOXY]PHOSPHINIC ACID
1-Hydroxy-2-erucoyl-sn-glycero-3-phosphoethanolamine
2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-[(13Z)-DOCOS-13-ENOYLOXY]-3-HYDROXYPROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-[(13Z)-docos-13-enoyloxy]-3-hydroxypropoxyphosphinic acid
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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: 637.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 339.6±34.3 °C
Index of Refraction: 1.487
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 221.71
ACD/KOC (pH 5.5): 323.45
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 179.05
ACD/KOC (pH 7.4): 261.23
Polar Surface Area: 138 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 507.3±3.0 cm3

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