ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tridecanoyloxy)propyl (9Z)-9-pentadecenoate | C33H64NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tridecanoyloxy)propyl (9Z)-9-pentadecenoate

  • Molecular FormulaC33H64NO8P
  • Average mass633.837 Da
  • Monoisotopic mass633.436951 Da
  • ChemSpider ID113375477

  • 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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tridecanoyloxy)propyl (9Z)-9-pentadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tridecanoyloxy)propyl-(9Z)-9-pentadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Pentadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
9-Pentadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxotridecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
1-(9Z-pentadecenoyl)-2-tridecanoyl-glycero-3-phosphoethanolamine
PE(13:0_15:1)
PE(15:1(9Z)/13:0)
PE(28:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 685.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 368.2±34.3 °C
Index of Refraction: 1.480
Molar Refractivity: 173.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 11.06
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 47791.05
ACD/KOC (pH 5.5): 15140.79
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 38502.15
ACD/KOC (pH 7.4): 12197.96
Polar Surface Area: 144 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 612.3±3.0 cm3

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