ChemSpider 2D Image | (2S,8R,19Z)-2-Ammonio-8-[(9Z)-9-octadecenoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacos-19-en-1-oate 5-oxide | C42H77NO10P

(2S,8R,19Z)-2-Ammonio-8-[(9Z)-9-octadecenoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacos-19-en-1-oate 5-oxide

  • Molecular FormulaC42H77NO10P
  • Average mass787.036 Da
  • Monoisotopic mass786.529053 Da
  • ChemSpider ID29368434

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,8R,19Z) 5-Oxyde de 2-ammonio-8-[(9Z)-9-octadecenoyloxy]-11-oxo-5-oxydo-4,6,10-trioxa-5-phosphaoctacos-19-én-1-oate [French] [ACD/IUPAC Name]
(2S,8R,19Z)-2-Ammonio-8-[(9Z)-9-octadecenoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacos-19-en-1-oat-5-oxid [German] [ACD/IUPAC Name]
(2S,8R,19Z)-2-Ammonio-8-[(9Z)-9-octadecenoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacos-19-en-1-oate 5-oxide [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, inner salt, ion(1-), (9Z)- [ACD/Index Name]
(2S,8R,19Z)-2-azaniumyl-8-[(9Z)-octadec-9-enoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacos-19-en-1-oate 5-oxide
1-(9Z)-octadecenoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phospho-L-serine(1-)
1-(9Z)-octadecenoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphoserine
1,2-di(9Z)-octadecenoyl-sn-glycero-3-phospho-L-serine
1,2-di-(9Z)-octadecenoyl-sn-glycero-3-phospho-L-serine
1,2-dioleoyl-sn-glycero-3-phospho-L-serine(1-)
More...
  • Miscellaneous

    • Chemical Class:

      A phosphatidylserine 36:2 that is the conjugate base of 1,2-dioleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino gr; oup is cationic. ChEBI CHEBI:74905
      A phosphatidylserine 36:2 that is the conjugate base of 1,2-dioleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. ChEBI CHEBI:74905

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

Density:
Boiling Point: 815.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 447.2±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 15.09
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 356065.88
ACD/KOC (pH 5.5): 33141.63
ACD/LogD (pH 7.4): 8.61
ACD/BCF (pH 7.4): 279028.88
ACD/KOC (pH 7.4): 25971.23
Polar Surface Area: 189 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement