Found 2 results

Search term: ICWXQACSSZIDLO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-9,12-hexadecadienoyloxy]propyl heptadecanoate | C38H72NO8P

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

  • Molecular FormulaC38H72NO8P
  • Average mass701.954 Da
  • Monoisotopic mass701.499573 Da
  • ChemSpider ID79716181

  • 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-[(9E,12E)-9,12-hexadecadienoyloxy]propyl heptadecanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-9,12-hexadecadienoyloxy]propyl-heptadecanoat [German] [ACD/IUPAC Name]
Heptadécanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-9,12-hexadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9E,12E)-1-oxo-9,12-hexadecadien-1-yl]oxy]propyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 732.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 396.5±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 13.20
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 359268.34
ACD/KOC (pH 5.5): 64155.28
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 289438.91
ACD/KOC (pH 7.4): 51685.69
Polar Surface Area: 144 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 688.4±3.0 cm3

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