ChemSpider 2D Image | (17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacos-17-en-21-yl docosanoate | C45H90NO7P

(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl docosanoate

  • Molecular FormulaC45H90NO7P
  • Average mass788.172 Da
  • Monoisotopic mass787.645508 Da
  • ChemSpider ID24769272

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl docosanoate [ACD/IUPAC Name]
(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (17Z,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacos-17-én-21-yle [French] [ACD/IUPAC Name]
Docosanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z)-1-octadecen-1-yloxy]methyl]ethyl ester [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-2-(DOCOSANOYLOXY)-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPOXY]PHOSPHINIC ACID
1-(1-Enyl-stearoyl)-2-behenoyl-sn-glycero-3-phosphoethanolamine
1-(1Z-octadecenyl)-2-docosanoyl-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-(DOCOSANOYLOXY)-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-(docosanoyloxy)-3-[(1Z)-octadec-1-en-1-yloxy]propoxyphosphinic acid
GPEtn(18:0/22:0)
More...

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 786.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 429.6±35.7 °C
Index of Refraction: 1.476
Molar Refractivity: 229.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 18.53
ACD/LogD (pH 5.5): 13.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 127 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 813.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement