ChemSpider 2D Image | (3R)-3-Allyl-2,6,9-trihydroxy-7-isopropyl-3,4-dimethyl-2,3-dihydronaphtho[2,3-b]furan-5,8-dione | C20H22O6

(3R)-3-Allyl-2,6,9-trihydroxy-7-isopropyl-3,4-dimethyl-2,3-dihydronaphtho[2,3-b]furan-5,8-dione

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID35518537
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(3R)-3-Allyl-2,6,9-trihydroxy-7-isopropyl-3,4-dimethyl-2,3-dihydronaphtho[2,3-b]furan-5,8-dion [German] [ACD/IUPAC Name]
(3R)-3-Allyl-2,6,9-trihydroxy-7-isopropyl-3,4-dimethyl-2,3-dihydronaphtho[2,3-b]furan-5,8-dione [ACD/IUPAC Name]
(3R)-3-Allyl-2,6,9-trihydroxy-7-isopropyl-3,4-diméthyl-2,3-dihydronaphto[2,3-b]furane-5,8-dione [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-5,8-dione, 2,3-dihydro-2,6,9-trihydroxy-3,4-dimethyl-7-(1-methylethyl)-3-(2-propen-1-yl)-, (3R)- [ACD/Index Name]
Coleone A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 215.7±25.0 °C
Index of Refraction: 1.623
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 3.59
ACD/KOC (pH 5.5): 37.78
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

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