ChemSpider 2D Image | (6S,7S,8R)-2,3,8,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol | C23H28O7

(6S,7S,8R)-2,3,8,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol

  • Molecular FormulaC23H28O7
  • Average mass416.464 Da
  • Monoisotopic mass416.183502 Da
  • ChemSpider ID29415321

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,7S,8R)-2,3,8,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol [German] [ACD/IUPAC Name]
(6S,7S,8R)-2,3,8,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol [ACD/IUPAC Name]
(6S,7S,8R)-2,3,8,13-Tétraméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol [French] [ACD/IUPAC Name]
Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol, 5,6,7,8-tetrahydro-2,3,8,13-tetramethoxy-6,7-dimethyl-, (6S,7S,8R)- [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: 567.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 296.9±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 364.48
ACD/KOC (pH 5.5): 2372.44
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 351.88
ACD/KOC (pH 7.4): 2290.41
Polar Surface Area: 76 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 324.1±5.0 cm3

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