ChemSpider 2D Image | (9R)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphaheptacosan-9-yl palmitate | C38H76NO8P

(9R)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yl palmitate

  • Molecular FormulaC38H76NO8P
  • Average mass705.986 Da
  • Monoisotopic mass705.530884 Da
  • ChemSpider ID7825981

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9R)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yl palmitate [ACD/IUPAC Name]
(9R)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1R)-1-[[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
Palmitate de (9R)-6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yle [French] [ACD/IUPAC Name]
(2R)-2,3-bis(hexadecanoyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid
(2R)-3-((Hydroxy(2-(methylamino)ethoxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate
[(2R)-2,3-bis(hexadecanoyloxy)propoxy][2-(methylamino)ethoxy]phosphinic acid
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate
1,2-Dihexadecanoyl-sn-glycero-3-phospho(methylaminoethanol)
1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine-N-methyl
More...

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

110743 [DBID]
42558_FLUKA [DBID]
LMGP02010337 [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: 724.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.2±6.0 kJ/mol
Flash Point: 392.0±35.7 °C
Index of Refraction: 1.470
Molar Refractivity: 197.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.94
ACD/LogD (pH 5.5): 10.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 676521.69
ACD/LogD (pH 7.4): 10.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 661337.44
Polar Surface Area: 130 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 706.3±3.0 cm3

Click to predict properties on the Chemicalize site


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