ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(heptadecanoyloxy)propyl heptadecanoate | C39H78NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(heptadecanoyloxy)propyl heptadecanoate

  • Molecular FormulaC39H78NO8P
  • Average mass720.012 Da
  • Monoisotopic mass719.546509 Da
  • ChemSpider ID29434588

  • 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-(heptadecanoyloxy)propyl heptadecanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(heptadecanoyloxy)propyl-heptadecanoat [German] [ACD/IUPAC Name]
Heptadécanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(heptadecanoyloxy)propyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-2,3-bis(heptadecanoyloxy)propoxy]phosphinic acid
1,2-Diheptadecanoyl-sn-glycero-3-phosphoethanolamine
1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion
140219-78-9 [RN]
17:0 PE
2-aminoethoxy((2R)-2,3-bis(heptadecanoyloxy)propoxy)phosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

110886 [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: 742.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 402.6±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.77
ACD/LogD (pH 5.5): 10.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 967952.75
ACD/LogD (pH 7.4): 10.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 779816.75
Polar Surface Area: 144 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 717.7±3.0 cm3

Click to predict properties on the Chemicalize site


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