ChemSpider 2D Image | (4E,6E)-7-[3a,4,5-Trihydroxy-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl]-4,6-heptadienoic acid | C19H28O8

(4E,6E)-7-[3a,4,5-Trihydroxy-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl]-4,6-heptadienoic acid

  • Molecular FormulaC19H28O8
  • Average mass384.421 Da
  • Monoisotopic mass384.178406 Da
  • ChemSpider ID77484167

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E,6E)-7-[3a,4,5-Trihydroxy-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl]-4,6-heptadienoic acid [ACD/IUPAC Name]
(4E,6E)-7-[3a,4,5-Trihydroxy-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl]-4,6-heptadiensäure [German] [ACD/IUPAC Name]
4,6-Heptadienoic acid, 7-[2,3,3a,4,5,7a-hexahydro-3a,4,5-trihydroxy-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-6-benzofuranyl]-, (4E,6E)- [ACD/Index Name]
Acide (4E,6E)-7-[3a,4,5-trihydroxy-7-(hydroxyméthyl)-2-(2-hydroxy-2-propanyl)-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl]-4,6-heptadiénoïque [French] [ACD/IUPAC Name]
(4E,6E)-7-[3a,4,5-trihydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-3,4,5,7a-tetrahydro-2H-1-benzofuran-6-yl]hepta-4,6-dienoic acid
Compound NP-018388

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

Density: 1.5±0.1 g/cm3
Boiling Point: 657.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±6.0 kJ/mol
Flash Point: 232.6±25.0 °C
Index of Refraction: 1.669
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.24
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 85.8±3.0 dyne/cm
Molar Volume: 262.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement