ChemSpider 2D Image | (2Z,4E)-5-(3,8-Dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-(hydroxymethyl)-2,4-pentadienoic acid | C15H20O7

(2Z,4E)-5-(3,8-Dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-(hydroxymethyl)-2,4-pentadienoic acid

  • Molecular FormulaC15H20O7
  • Average mass312.315 Da
  • Monoisotopic mass312.120911 Da
  • ChemSpider ID123961484

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4E)-5-(3,8-Dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-(hydroxymethyl)-2,4-pentadienoic acid [ACD/IUPAC Name]
(2Z,4E)-5-(3,8-Dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-(hydroxymethyl)-2,4-pentadiensäure [German] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-(3,8-dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-(hydroxymethyl)-, (2Z,4E)- [ACD/Index Name]
Acide (2Z,4E)-5-(3,8-dihydroxy-1,5-diméthyl-7-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-(hydroxyméthyl)-2,4-pentadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 622.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 233.4±25.0 °C
Index of Refraction: 1.682
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 91.5±3.0 dyne/cm
Molar Volume: 203.4±3.0 cm3

Click to predict properties on the Chemicalize site


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