ChemSpider 2D Image | 6-[(1E)-3,4-Dihydroxy-1-hepten-1-yl]-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3,5,7a-tetrahydro-1-benzofuran-3a,4,5(4H)-triol | C19H32O8

6-[(1E)-3,4-Dihydroxy-1-hepten-1-yl]-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3,5,7a-tetrahydro-1-benzofuran-3a,4,5(4H)-triol

  • Molecular FormulaC19H32O8
  • Average mass388.453 Da
  • Monoisotopic mass388.209717 Da
  • ChemSpider ID77484165
  • Double-bond stereo - Double-bond stereo


More details:






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

3a,4,5(4H)-Benzofurantriol, 6-[(1E)-3,4-dihydroxy-1-hepten-1-yl]-2,3,5,7a-tetrahydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)- [ACD/Index Name]
6-[(1E)-3,4-Dihydroxy-1-hepten-1-yl]-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3,5,7a-tetrahydro-1-benzofuran-3a,4,5(4H)-triol [German] [ACD/IUPAC Name]
6-[(1E)-3,4-Dihydroxy-1-hepten-1-yl]-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3,5,7a-tetrahydro-1-benzofuran-3a,4,5(4H)-triol [ACD/IUPAC Name]
6-[(1E)-3,4-Dihydroxy-1-heptén-1-yl]-7-(hydroxyméthyl)-2-(2-hydroxy-2-propanyl)-2,3,5,7a-tétrahydro-1-benzofurane-3a,4,5(4H)-triol [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 653.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±6.0 kJ/mol
Flash Point: 348.8±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.96
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.96
Polar Surface Area: 151 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 84.7±3.0 dyne/cm
Molar Volume: 270.2±3.0 cm3

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