ChemSpider 2D Image | 3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6lambda~5~-phosphatriacontan-9-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C48H82NO9P

3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphatriacontan-9-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC48H82NO9P
  • Average mass848.140 Da
  • Monoisotopic mass847.572693 Da
  • ChemSpider ID24608377

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de 3-amino-6-hydroxy-2,12-dioxo-6-oxydo-5,7,11-trioxa-6λ5-phosphatriacontan-9-yle [French] [ACD/IUPAC Name]
3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphatriacontan-9-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphatriacontan-9-yl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 2-[[(2-amino-3-oxobutoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxononadecyl)oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
Phosphatidylserine 19:0-22:6

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

Density: 1.0±0.1 g/cm3
Boiling Point: 834.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 131.7±6.0 kJ/mol
Flash Point: 458.7±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 243.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 15.35
ACD/LogD (pH 5.5): 9.04
ACD/BCF (pH 5.5): 871587.44
ACD/KOC (pH 5.5): 93008.59
ACD/LogD (pH 7.4): 8.46
ACD/BCF (pH 7.4): 232346.98
ACD/KOC (pH 7.4): 24794.14
Polar Surface Area: 161 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 825.4±3.0 cm3

Click to predict properties on the Chemicalize site


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