ChemSpider 2D Image | (6S,7S)-4,9-Dibromo-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-6-ol | C24H30Br2O7

(6S,7S)-4,9-Dibromo-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-6-ol

  • Molecular FormulaC24H30Br2O7
  • Average mass590.299 Da
  • Monoisotopic mass588.035828 Da
  • ChemSpider ID2272990

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,7S)-4,9-Dibrom-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-6-ol [German] [ACD/IUPAC Name]
(6S,7S)-4,9-Dibromo-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-6-ol [ACD/IUPAC Name]
(6S,7S)-4,9-Dibromo-1,2,3,10,11,12-hexaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-6-ol [French] [ACD/IUPAC Name]
Dibenzo[a,c]cycloocten-6-ol, 4,9-dibromo-5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, (6S,7S)- [ACD/Index Name]
5,12-Dibromo-schizandrin
Schizandrin

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

AIDS057861 [DBID]
AIDS-057861 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9756.31
ACD/KOC (pH 5.5): 24952.84
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9756.31
ACD/KOC (pH 7.4): 24952.84
Polar Surface Area: 76 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 413.3±3.0 cm3

Click to predict properties on the Chemicalize site


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