ChemSpider 2D Image | (2S,8R)-2-Ammonio-8-(octanoyloxy)-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctadecan-1-oate 5-oxide | C22H41NO10P

(2S,8R)-2-Ammonio-8-(octanoyloxy)-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctadecan-1-oate 5-oxide

  • Molecular FormulaC22H41NO10P
  • Average mass510.536 Da
  • Monoisotopic mass510.247345 Da
  • ChemSpider ID28532899
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,8R) 5-Oxyde de 2-ammonio-8-(octanoyloxy)-11-oxo-5-oxydo-4,6,10-trioxa-5-phosphaoctadécan-1-oate [French] [ACD/IUPAC Name]
(2S,8R)-2-Ammonio-8-(octanoyloxy)-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctadecan-1-oat-5-oxid [German] [ACD/IUPAC Name]
(2S,8R)-2-Ammonio-8-(octanoyloxy)-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctadecan-1-oate 5-oxide [ACD/IUPAC Name]
Octanoic acid, (1R)-1-[[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, kis(inner salt), ion(0-) [ACD/Index Name]
(2S,8R)-2-azaniumyl-8-(octanoyloxy)-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctadecan-1-oate 5-oxide
1,2-dioctanoyl-sn-glycero-3-phospho-L-serine(1-)
1,2-dioctanoyl-sn-glycero-3-phosphoserine(1-)
PS(8:0/8:0)
  • Miscellaneous
    • Chemical Class:

      A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1,2-dioctanoyl-sn-glycero-3-phosphoserine, obtained by deprotonation of the phosphate O; H group; major species at pH 7.3. ChEBI CHEBI:65223
      A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1,2-dioctanoyl-sn-glycero-3-phosphoserine, obtained by deprotonation of the phosphate OH group; major species at pH 7.3. ChEBI CHEBI:65223

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

Density:
Boiling Point: 639.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 340.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 189 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement