ChemSpider 2D Image | 3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6lambda~5~-phosphanonacosan-9-yl (4Z)-4-octadecenoate | C43H82NO9P

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

  • Molecular FormulaC43H82NO9P
  • Average mass788.086 Da
  • Monoisotopic mass787.572693 Da
  • ChemSpider ID24608371

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-Octadécénoate 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)-4-octadecenoate [ACD/IUPAC Name]
3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphanonacosan-9-yl-(4Z)-4-octadecenoat [German] [ACD/IUPAC Name]
4-Octadecenoic acid, 2-[[(2-amino-3-oxobutoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (4Z)- [ACD/Index Name]
Phosphatidylserine 18:0-18:1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 794.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.6±6.0 kJ/mol
Flash Point: 434.3±35.7 °C
Index of Refraction: 1.480
Molar Refractivity: 220.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 15.93
ACD/LogD (pH 5.5): 10.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 637553.75
ACD/LogD (pH 7.4): 10.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 169951.41
Polar Surface Area: 161 Å2
Polarizability: 87.3±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 774.8±3.0 cm3

Click to predict properties on the Chemicalize site


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