ChemSpider 2D Image | (9E,17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacosa-9,17-dien-21-yl (4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoate | C45H78NO7P

(9E,17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dien-21-yl (4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC45H78NO7P
  • Average mass776.077 Da
  • Monoisotopic mass775.551575 Da
  • ChemSpider ID59699823

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaénoate de (9E,17E,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dién-21-yle [French] [ACD/IUPAC Name]
(9E,17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dien-21-yl (4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(9E,17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dien-21-yl-(4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1E,9E)-1,9-octadecadien-1-yloxy]methyl]ethyl ester, (4E,7E,10E,13E,16E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(docosa-4,7,10,13,16-pentaenoyloxy)-3-(octadeca-1,9-dien-1-yloxy)propoxy]phosphinic acid
PE(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 786.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 429.3±35.7 °C
Index of Refraction: 1.505
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 15.13
ACD/LogD (pH 5.5): 9.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 332598.06
ACD/LogD (pH 7.4): 9.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 268450.97
Polar Surface Area: 127 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 774.9±3.0 cm3

Click to predict properties on the Chemicalize site


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