ChemSpider 2D Image | (7E,9Z,21R)-27-Amino-24-hydroxy-24-oxido-6,18-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosa-7,9-dien-21-yl icosanoate | C43H80NO9P

(7E,9Z,21R)-27-Amino-24-hydroxy-24-oxido-6,18-dioxo-19,23,25-trioxa-24λ5-phosphaheptacosa-7,9-dien-21-yl icosanoate

  • Molecular FormulaC43H80NO9P
  • Average mass786.070 Da
  • Monoisotopic mass785.557068 Da
  • ChemSpider ID117218122

  • 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

(7E,9Z,21R)-27-Amino-24-hydroxy-24-oxido-6,18-dioxo-19,23,25-trioxa-24λ5-phosphaheptacosa-7,9-dien-21-yl icosanoate [ACD/IUPAC Name]
(7E,9Z,21R)-27-Amino-24-hydroxy-24-oxido-6,18-dioxo-19,23,25-trioxa-24λ5-phosphaheptacosa-7,9-dien-21-yl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z,11E)-1,13-dioxo-9,11-octadecadien-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Icosanoate de (7E,9Z,21R)-27-amino-24-hydroxy-6,18-dioxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-7,9-dién-21-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 810.1±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: 443.7±37.1 °C
Index of Refraction: 1.486
Molar Refractivity: 220.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 13.52
ACD/LogD (pH 5.5): 9.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 247159.45
ACD/LogD (pH 7.4): 9.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 199120.36
Polar Surface Area: 161 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 768.1±3.0 cm3

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