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)-4-icosenoate | C45H84NO9P

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

  • Molecular FormulaC45H84NO9P
  • Average mass814.123 Da
  • Monoisotopic mass813.588379 Da
  • ChemSpider ID24608498

  • 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)-4-icosenoate [ACD/IUPAC Name]
(15Z)-3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphanonacos-15-en-9-yl-(4Z)-4-icosenoat [German] [ACD/IUPAC Name]
(4Z)-4-Icosénoate 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-Eicosenoic acid, 2-[[(2-amino-3-oxobutoxy)hydroxyphosphinyl]oxy]-1-[[[(4Z)-1-oxo-4-octadecen-1-yl]oxy]methyl]ethyl ester, (4Z)- [ACD/Index Name]
Phosphatidylserine 18:1-20:1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 811.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 444.4±37.1 °C
Index of Refraction: 1.485
Molar Refractivity: 229.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 16.67
ACD/LogD (pH 5.5): 10.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 969894.25
ACD/LogD (pH 7.4): 10.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 258570.83
Polar Surface Area: 161 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 801.5±3.0 cm3

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