ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (10R)-10-methyloctadecanoate | C40H80NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (10R)-10-methyloctadecanoate

  • Molecular FormulaC40H80NO8P
  • Average mass734.039 Da
  • Monoisotopic mass733.562134 Da
  • ChemSpider ID24842046

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R)-10-Méthyloctadécanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (10R)-10-methyloctadecanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl-(10R)-10-methyloctadecanoat [German] [ACD/IUPAC Name]
Octadecanoic acid, 10-methyl-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (10R)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propoxy]phosphinic acid
1-((R)-10-methyloctadecanoyl)-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine
1223092-54-3 [RN]
1-O-TBSA-2-O-palmitoyl-sn-phospholipid
1-TBSA-2-palmitoyl-sn-glycero-3-phosphoethanolamine
1-tuberculostearoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 748.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 406.3±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 206.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.11
ACD/LogD (pH 5.5): 10.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 738839.81
ACD/LogD (pH 7.4): 10.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 595235.38
Polar Surface Area: 144 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 734.6±3.0 cm3

Click to predict properties on the Chemicalize site


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