ChemSpider 2D Image | 5,6-Dimethoxysterigmatocystin | C20H16O8

5,6-Dimethoxysterigmatocystin

  • Molecular FormulaC20H16O8
  • Average mass384.336 Da
  • Monoisotopic mass384.084503 Da
  • ChemSpider ID21782091

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5,6-Dimethoxysterigmatocystin
(3aR,12cS)-8-Hydroxy-6,10,11-trimethoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-on [German] [ACD/IUPAC Name]
(3aR,12cS)-8-Hydroxy-6,10,11-trimethoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one [ACD/IUPAC Name]
(3aR,12cS)-8-Hydroxy-6,10,11-triméthoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthén-7-one [French] [ACD/IUPAC Name]
65176-75-2 [RN]
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6,10,11-trimethoxy-, (3aR,12cS)- [ACD/Index Name]
J0FSI1YC2L
UNII:J0FSI1YC2L

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 236.2±25.0 °C
Index of Refraction: 1.644
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 28.89
ACD/KOC (pH 5.5): 383.07
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 8.37
ACD/KOC (pH 7.4): 110.98
Polar Surface Area: 93 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 262.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement