Found 21 results

Search term: MF = 'C_{34}H_{66}NO_{8}P'
ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tridecanoyloxy)propyl (9Z)-9-hexadecenoate | C34H66NO8P

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

  • Molecular FormulaC34H66NO8P
  • Average mass647.864 Da
  • Monoisotopic mass647.452576 Da
  • ChemSpider ID113375512

  • 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-hexadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tridecanoyloxy)propyl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxotridecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
1-(9Z-hexadecenoyl)-2-tridecanoyl-glycero-3-phosphoethanolamine
PE(13:0_16:1)
PE(16:1(9Z)/13:0)
PE(29:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 694.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 374.0±34.3 °C
Index of Refraction: 1.480
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 11.59
ACD/LogD (pH 5.5): 7.73
ACD/BCF (pH 5.5): 110942.10
ACD/KOC (pH 5.5): 27666.13
ACD/LogD (pH 7.4): 7.64
ACD/BCF (pH 7.4): 89378.86
ACD/KOC (pH 7.4): 22288.81
Polar Surface Area: 144 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 628.8±3.0 cm3

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