ChemSpider 2D Image | (5R,6S,7S)-5,14-Dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-13-ol | C22H24O7

(5R,6S,7S)-5,14-Dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-13-ol

  • Molecular FormulaC22H24O7
  • Average mass400.422 Da
  • Monoisotopic mass400.152191 Da
  • ChemSpider ID29417350

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,6S,7S)-5,14-Dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-13-ol [German] [ACD/IUPAC Name]
(5R,6S,7S)-5,14-Dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-13-ol [ACD/IUPAC Name]
(5R,6S,7S)-5,14-Diméthoxy-6,7-diméthyl-5,6,7,8-tétrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-13-ol [French] [ACD/IUPAC Name]
1,3-Benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-13-ol, 5,6,7,8-tetrahydro-5,14-dimethoxy-6,7-dimethyl-, (5R,6S,7S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 562.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 294.1±30.1 °C
Index of Refraction: 1.635
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 514.30
ACD/KOC (pH 5.5): 3035.55
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 496.47
ACD/KOC (pH 7.4): 2930.31
Polar Surface Area: 76 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 289.2±5.0 cm3

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