ChemSpider 2D Image | 3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6lambda~5~-phosphanonacosan-9-yl (4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoate | C45H80NO9P

3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphanonacosan-9-yl (4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoate

  • Molecular FormulaC45H80NO9P
  • Average mass810.092 Da
  • Monoisotopic mass809.557068 Da
  • ChemSpider ID24608374

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z)-4,7,10,13-Icosatétraénoate de 3-amino-6-hydroxy-2,12-dioxo-6-oxydo-5,7,11-trioxa-6λ5-phosphanonacosan-9-yle [French] [ACD/IUPAC Name]
3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphanonacosan-9-yl (4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoate [ACD/IUPAC Name]
3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphanonacosan-9-yl-(4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoat [German] [ACD/IUPAC Name]
4,7,10,13-Eicosatetraenoic acid, 2-[[(2-amino-3-oxobutoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z)- [ACD/Index Name]
Phosphatidylserine 18:0-20:4

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

Density: 1.0±0.1 g/cm3
Boiling Point: 810.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±6.0 kJ/mol
Flash Point: 443.9±37.1 °C
Index of Refraction: 1.494
Molar Refractivity: 229.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 15.12
ACD/LogD (pH 5.5): 9.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 121246.89
ACD/LogD (pH 7.4): 8.67
ACD/BCF (pH 7.4): 336515.22
ACD/KOC (pH 7.4): 32321.88
Polar Surface Area: 161 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 788.7±3.0 cm3

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