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Search term: 24842044 (Found by CSID)
ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl (5Z)-5-hexadecenoate | C36H70NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl (5Z)-5-hexadecenoate

  • Molecular FormulaC36H70NO8P
  • Average mass675.917 Da
  • Monoisotopic mass675.483887 Da
  • ChemSpider ID24842044

  • 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-(pentadecanoyloxy)propyl (5Z)-5-hexadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl-(5Z)-5-hexadecenoat [German] [ACD/IUPAC Name]
(5Z)-5-Hexadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
5-Hexadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxopentadecyl)oxy]propyl ester, (5Z)- [ACD/Index Name]
1-(5Z-hexadecenoyl)-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine
PE(15:0_16:1)
PE(16:1(5Z)/15:0)
PE(16:1/15:0)
PE(31:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 713.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 385.5±35.7 °C
Index of Refraction: 1.480
Molar Refractivity: 187.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 12.77
ACD/LogD (pH 5.5): 9.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 159131.44
ACD/LogD (pH 7.4): 9.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 128199.77
Polar Surface Area: 144 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 661.8±3.0 cm3

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