ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl (9Z)-9-hexadecenoate | C39H72NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl (9Z)-9-hexadecenoate

  • Molecular FormulaC39H72NO9P
  • Average mass729.964 Da
  • Monoisotopic mass729.494446 Da
  • ChemSpider ID117217441

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octén-1-yl]-2-oxiranyl}octanoyl)oxy]propyle [French] [ACD/IUPAC Name]
2-Oxiraneoctanoic acid, 3-[(2Z)-2-octen-1-yl]-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl 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: 756.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 411.4±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 201.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 11.93
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 22476.76
ACD/KOC (pH 5.5): 8823.62
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 18108.05
ACD/KOC (pH 7.4): 7108.61
Polar Surface Area: 157 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 696.8±3.0 cm3

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