ChemSpider 2D Image | (2E,4E,6E,8E)-10-({(3R,4R,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl}oxy)-10-oxo-2,4,6,8-decatetraenoic acid | C26H34O7

(2E,4E,6E,8E)-10-({(3R,4R,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl}oxy)-10-oxo-2,4,6,8-decatetraenoic acid

  • Molecular FormulaC26H34O7
  • Average mass458.544 Da
  • Monoisotopic mass458.230438 Da
  • ChemSpider ID24921426

  • 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-({(3R,4R,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl}oxy)-10-oxo-2,4,6,8-decatetraenoic acid [ACD/IUPAC Name]
(2E,4E,6E,8E)-10-({(3R,4R,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl}oxy)-10-oxo-2,4,6,8-decatetraensäure [German] [ACD/IUPAC Name]
2,4,6,8-Decatetraenedioic acid, mono[(3R,4R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl] ester, (2E,4E,6E,8E)- [ACD/Index Name]
Acide (2E,4E,6E,8E)-10-({(3R,4R,5S,6R)-5-méthoxy-4-[(2R,3R)-2-méthyl-3-(3-méthyl-2-butén-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl}oxy)-10-oxo-2,4,6,8-décatétraénoïque [French] [ACD/IUPAC Name]

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 606.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 198.9±25.0 °C
Index of Refraction: 1.562
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 9.66
ACD/KOC (pH 5.5): 77.61
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 98 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 383.2±5.0 cm3

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