ChemSpider 2D Image | (15Z)-3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6lambda~5~-phosphanonacos-15-en-9-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-icosapentaenoate | C45H76NO9P

(15Z)-3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphanonacos-15-en-9-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-icosapentaenoate

  • Molecular FormulaC45H76NO9P
  • Average mass806.060 Da
  • Monoisotopic mass805.525757 Da
  • ChemSpider ID24608516

  • Double-bond stereo - Double-bond stereo

More details:

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

(15Z)-3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphanonacos-15-en-9-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-icosapentaenoate [ACD/IUPAC Name]
(15Z)-3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphanonacos-15-en-9-yl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-icosapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Icosapentaénoate de (15Z)-3-amino-6-hydroxy-2,12-dioxo-6-oxydo-5,7,11-trioxa-6λ5-phosphanonacos-15-én-9-yle [French] [ACD/IUPAC Name]
4,7,10,13,16-Eicosapentaenoic acid, 2-[[(2-amino-3-oxobutoxy)hydroxyphosphinyl]oxy]-1-[[[(4Z)-1-oxo-4-octadecen-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
Phosphatidylserine 18:1-20:5

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

Density: 1.0±0.1 g/cm3
Boiling Point: 809.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 127.9±6.0 kJ/mol
Flash Point: 443.5±37.1 °C
Index of Refraction: 1.504
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 14.11
ACD/LogD (pH 5.5): 8.27
ACD/BCF (pH 5.5): 229834.84
ACD/KOC (pH 5.5): 35821.36
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 61275.62
ACD/KOC (pH 7.4): 9550.24
Polar Surface Area: 161 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 775.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement