ChemSpider 2D Image | 6-[(1E,3E)-1,3-Heptadien-1-yl]-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3,5,7a-tetrahydro-1-benzofuran-3a,4,5(4H)-triol | C19H30O6

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

  • Molecular FormulaC19H30O6
  • Average mass354.438 Da
  • Monoisotopic mass354.204254 Da
  • ChemSpider ID77484164
  • 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,3E)-1,3-heptadien-1-yl]-2,3,5,7a-tetrahydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)- [ACD/Index Name]
6-[(1E,3E)-1,3-Heptadien-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,3E)-1,3-Heptadien-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,3E)-1,3-Heptadién-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]
6-[(1E,3E)-hepta-1,3-dienyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-3,4,5,7a-tetrahydro-2H-1-benzofuran-3a,4,5-triol
Compound NP-018126

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 290.7±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.81
ACD/KOC (pH 5.5): 486.30
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.81
ACD/KOC (pH 7.4): 486.29
Polar Surface Area: 110 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 268.1±3.0 cm3

Click to predict properties on the Chemicalize site






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