ChemSpider 2D Image | (2R)-3-{[(R)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-9,12-hexadecadienoyloxy]propyl (8E,12E,16E)-8,12,16-octadecatrienoate | C39H68NO8P

(2R)-3-{[(R)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-9,12-hexadecadienoyloxy]propyl (8E,12E,16E)-8,12,16-octadecatrienoate

  • Molecular FormulaC39H68NO8P
  • Average mass709.933 Da
  • Monoisotopic mass709.468262 Da
  • ChemSpider ID4883357

  • 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-{[(R)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-9,12-hexadecadienoyloxy]propyl (8E,12E,16E)-8,12,16-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-{[(R)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-9,12-hexadecadienoyloxy]propyl-(8E,12E,16E)-8,12,16-octadecatrienoat [German] [ACD/IUPAC Name]
(8E,12E,16E)-8,12,16-Octadécatriénoate de (2R)-3-{[(R)-(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-9,12-hexadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
8,12,16-Octadecatrienoic acid, (2R)-3-[[(R)-(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9E,12E)-1-oxo-9,12-hexadecadien-1-yl]oxy]propyl ester, (8E,12E,16E)- [ACD/Index Name]
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
EPH
L-α-PHOSPHATIDYL-β-OLEOYL-γ-PALMITOYL-PHOSPHATIDYLETHANOLAMINE

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DXA [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 739.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 401.3±35.7 °C
Index of Refraction: 1.501
Molar Refractivity: 202.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 11.93
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 6132.01
ACD/KOC (pH 5.5): 3482.15
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 4940.15
ACD/KOC (pH 7.4): 2805.34
Polar Surface Area: 144 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 685.8±3.0 cm3

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