ChemSpider 2D Image | (9Z,12Z,15Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26lambda~5~-phosphanonacosa-9,12,15-trien-23-yl (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate | C45H76NO10P

(9Z,12Z,15Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-9,12,15-trien-23-yl (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate

  • Molecular FormulaC45H76NO10P
  • Average mass822.059 Da
  • Monoisotopic mass821.520691 Da
  • ChemSpider ID117218401

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,6R,8Z,11Z,14Z,17Z)-5,6-Dihydroxy-8,11,14,17-icosatétraénoate de (9Z,12Z,15Z,23R)-29-amino-26-hydroxy-20-oxo-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosa-9,12,15-trién-23-yle [French] [ACD/IUPAC Name]
(9Z,12Z,15Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-9,12,15-trien-23-yl (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(9Z,12Z,15Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-9,12,15-trien-23-yl-(5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, 5,6-dihydroxy-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]methyl]ethyl ester, (5R,6R,8Z,11Z,14Z,17Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 839.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.7±6.0 kJ/mol
Flash Point: 461.2±37.1 °C
Index of Refraction: 1.519
Molar Refractivity: 232.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 10.70
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 6901.40
ACD/KOC (pH 5.5): 3789.59
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 5559.59
ACD/KOC (pH 7.4): 3052.80
Polar Surface Area: 185 Å2
Polarizability: 92.3±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 767.8±3.0 cm3

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