ChemSpider 2D Image | (21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl docosanoate | C45H90NO8P

(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl docosanoate

  • Molecular FormulaC45H90NO8P
  • Average mass804.172 Da
  • Monoisotopic mass803.640381 Da
  • ChemSpider ID7825796

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl docosanoate [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yle [French] [ACD/IUPAC Name]
Docosanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(docosanoyloxy)-3-(octadecanoyloxy)propoxy]phosphinic acid
1-octadecanoyl-2-docosanoyl-sn-glycero-3-phosphoethanolamine
1-Stearoyl-2-behenoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-(DOCOSANOYLOXY)-3-(OCTADECANOYLOXY)PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-(docosanoyloxy)-3-(octadecanoyloxy)propoxyphosphinic acid
Docosanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, (R)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP02010146 [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: 795.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 434.9±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 229.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 17.95
ACD/LogD (pH 5.5): 13.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 816.7±3.0 cm3

Click to predict properties on the Chemicalize site


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