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,6Z,8E,10E,12S,14Z)-5,12-dihydroxy-6,8,10,14-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,6Z,8E,10E,12S,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoate

  • Molecular FormulaC45H76NO10P
  • Average mass822.059 Da
  • Monoisotopic mass821.520691 Da
  • ChemSpider ID117218365

  • 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,6Z,8E,10E,12S,14Z)-5,12-Dihydroxy-6,8,10,14-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,6Z,8E,10E,12S,14Z)-5,12-dihydroxy-6,8,10,14-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,6Z,8E,10E,12S,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoat [German] [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]methyl]ethyl ester, (5R,6Z,8E,10E,12S,14Z)- [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: 851.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.7±6.0 kJ/mol
Flash Point: 468.9±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: 11.14
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 33394.94
ACD/KOC (pH 5.5): 11714.52
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 26902.04
ACD/KOC (pH 7.4): 9436.89
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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