ChemSpider 2D Image | (9Z)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-9-en-21-yl docosanoate | C45H88NO8P

(9Z)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-9-en-21-yl docosanoate

  • Molecular FormulaC45H88NO8P
  • Average mass802.156 Da
  • Monoisotopic mass801.624756 Da
  • ChemSpider ID7825811

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-9-en-21-yl docosanoate [ACD/IUPAC Name]
(9Z)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-9-en-21-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (9Z)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacos-9-én-21-yle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
1-(9Z-octadecenoyl)-2-docosanoyl-sn-glycero-3-phosphoethanolamine
Docosanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxo-9-octadecenyl)oxy]ethyl ester, (Z)-
GPEtn(18:1(9Z)/22:0)[U]

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

LMGP02010162 [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: 795.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 434.6±35.7 °C
Index of Refraction: 1.478
Molar Refractivity: 229.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 17.44
ACD/LogD (pH 5.5): 12.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9192855.00
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 810.3±3.0 cm3

Click to predict properties on the Chemicalize site


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