ChemSpider 2D Image | (9R)-6-Hydroxy-9-(icosanoyloxy)-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl icosanoate | C46H92NO8P

(9R)-6-Hydroxy-9-(icosanoyloxy)-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl icosanoate

  • Molecular FormulaC46H92NO8P
  • Average mass818.198 Da
  • Monoisotopic mass817.656067 Da
  • ChemSpider ID7825989

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9R)-6-Hydroxy-9-(icosanoyloxy)-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl icosanoate [ACD/IUPAC Name]
(9R)-6-Hydroxy-9-(icosanoyloxy)-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (1R)-1-[[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
Icosanoate de (9R)-6-hydroxy-9-(icosanoyloxy)-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
1,2-dieicosanoyl-sn-glycero-3-phospho-N-methylethanolamine
Eicosanoic acid, 1-[[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-
GPEtnNMe(20:0/20:0)
PE-NMe(20:0/20:0)
PE-NMe(40:0)

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

LMGP02010345 [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: 796.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 435.6±35.7 °C
Index of Refraction: 1.471
Molar Refractivity: 234.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 18.19
ACD/LogD (pH 5.5): 13.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 130 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 838.4±3.0 cm3

Click to predict properties on the Chemicalize site


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