ChemSpider 2D Image | (2E,4E,6E,8E)-10-({(1S,2S,3R,4S)-4-Hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl}oxy)-10-oxo-2,4,6,8-decatetraenoic acid | C26H36O7

(2E,4E,6E,8E)-10-({(1S,2S,3R,4S)-4-Hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl}oxy)-10-oxo-2,4,6,8-decatetraenoic acid

  • Molecular FormulaC26H36O7
  • Average mass460.560 Da
  • Monoisotopic mass460.246094 Da
  • ChemSpider ID26329779

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2E,4E,6E,8E)-10-({(1S,2S,3R,4S)-4-Hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl}oxy)-10-oxo-2,4,6,8-decatetraenoic acid [ACD/IUPAC Name]
(2E,4E,6E,8E)-10-({(1S,2S,3R,4S)-4-Hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl}oxy)-10-oxo-2,4,6,8-decatetraensäure [German] [ACD/IUPAC Name]
2,4,6,8-Decatetraenedioic acid, mono[(1S,2S,3R,4S)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]cyclohexyl] ester, (2E,4E,6E,8E)- [ACD/Index Name]
Acide (2E,4E,6E,8E)-10-({(1S,2S,3R,4S)-4-hydroxy-2-méthoxy-4-méthyl-3-[(2R,3R)-2-méthyl-3-(3-méthyl-2-butén-1-yl)-2-oxiranyl]cyclohexyl}oxy)-10-oxo-2,4,6,8-décatétraénoïque [French] [ACD/IUPAC Name]
(2E,4E,6E,8E)-10-{[(1S,2S,4S)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl]oxy}-10-oxodeca-2,4,6,8-tetraenoic acid
23110-15-8 [RN]
7OW73204U1
Flisint; Fugillin; Furnidil

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 197.3±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 23.07
ACD/KOC (pH 5.5): 144.75
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 106 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 393.3±5.0 cm3

Click to predict properties on the Chemicalize site


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