Found 1 result

Search term: 78442652 (Found by CSID)
ChemSpider 2D Image | (2E,4E,6E,8E)-10-({(1R,2S,3R)-2-Methoxy-4-methylene-3-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl}oxy)-10-oxo-2,4,6,8-decatetraenoic acid | C26H34O6

(2E,4E,6E,8E)-10-({(1R,2S,3R)-2-Methoxy-4-methylene-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 FormulaC26H34O6
  • Average mass442.545 Da
  • Monoisotopic mass442.235535 Da
  • ChemSpider ID78442652

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2E,4E,6E,8E)-10-({(1R,2S,3R)-2-Methoxy-4-methylen-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]
(2E,4E,6E,8E)-10-({(1R,2S,3R)-2-Methoxy-4-methylene-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]
2,4,6,8-Decatetraenedioic acid, mono[(1R,2S,3R)-2-methoxy-4-methylene-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-({(1R,2S,3R)-2-méthoxy-4-méthylène-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]
2,4,6,8-Decatetraenedioic acid, mono[2-methoxy-4-methylene-3-[2-methyl-3-(3-methyl-2-butenyl)-2-oxiranyl]cyclohex-1-yl] ester [1R-[1β(2E,4E,6E,8E),2β,3α(2R∗,3R∗)]] (2)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 186.7±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 110.79
ACD/KOC (pH 5.5): 445.09
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 7.33
Polar Surface Area: 85 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

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