ChemSpider 2D Image | (3aR)-6,7,8-Trimethoxy-3a,4,14,14a-tetrahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-one | C22H22O7

(3aR)-6,7,8-Trimethoxy-3a,4,14,14a-tetrahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-one

  • Molecular FormulaC22H22O7
  • Average mass398.406 Da
  • Monoisotopic mass398.136566 Da
  • ChemSpider ID77416765

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3aR)-6,7,8-Trimethoxy-3a,4,14,14a-tetrahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-on [German] [ACD/IUPAC Name]
(3aR)-6,7,8-Trimethoxy-3a,4,14,14a-tetrahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-one [ACD/IUPAC Name]
(3aR)-6,7,8-Triméthoxy-3a,4,14,14a-tétrahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-one [French] [ACD/IUPAC Name]
Benzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-one, 3a,4,14,14a-tetrahydro-6,7,8-trimethoxy-, (3aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 272.9±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.08
ACD/KOC (pH 5.5): 765.81
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.08
ACD/KOC (pH 7.4): 765.81
Polar Surface Area: 72 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 306.5±3.0 cm3

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