ChemSpider 2D Image | 5194073 | C39H78NO8P

5194073

  • Molecular FormulaC39H78NO8P
  • Average mass720.012 Da
  • Monoisotopic mass719.546509 Da
  • ChemSpider ID7825971
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(9R)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yl palmitate [ACD/IUPAC Name]
(9R)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-ylpalmitat [German] [ACD/IUPAC Name]
1,1′-[(1R)-1-(3-Hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] dihexadecanoate
223-494-1 [EINECS]
3922-61-0 [RN]
3-sn-Phosphatidyl-N,N-dimethylethanolamine, 1,2-dipalmitoyl
5194073
Hexadecanoic acid, (1R)-1-[[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
L-α-Phosphatidylethanolamine, dipalmitoyl, N,N-dimethyl
L-β,γ-Dipalmitoyl-N,N-dimethyl-α-cephalin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP02010325 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 726.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.5±6.0 kJ/mol
Flash Point: 393.1±35.7 °C
Index of Refraction: 1.472
Molar Refractivity: 201.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.43
ACD/LogD (pH 5.5): 10.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 993154.69
ACD/LogD (pH 7.4): 10.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 927201.38
Polar Surface Area: 121 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 721.3±3.0 cm3

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