ChemSpider 2D Image | 11-hydroxy-O-methylsterigmatocystin | C19H14O7

11-hydroxy-O-methylsterigmatocystin

  • Molecular FormulaC19H14O7
  • Average mass354.310 Da
  • Monoisotopic mass354.073944 Da
  • ChemSpider ID28540475

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,12cS)-11-Hydroxy-6,8-dimethoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-on [German] [ACD/IUPAC Name]
(3aR,12cS)-11-Hydroxy-6,8-dimethoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one [ACD/IUPAC Name]
(3aR,12cS)-11-Hydroxy-6,8-diméthoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthén-7-one [French] [ACD/IUPAC Name]
11-hydroxy-O-methylsterigmatocystin
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-11-hydroxy-6,8-dimethoxy-, (3aR,12cS)- [ACD/Index Name]
11-hydroxy-8-O-methylsterigmatocystin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 605.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 225.0±25.0 °C
Index of Refraction: 1.663
Molar Refractivity: 88.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.22
ACD/KOC (pH 5.5): 309.82
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.25
ACD/KOC (pH 7.4): 281.15
Polar Surface Area: 83 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 238.8±3.0 cm3

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