Found 1 result

Search term: 78442036 (Found by CSID)
ChemSpider 2D Image | (2R,3aS,12cS)-8-Hydroxy-6,11-dimethoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-2-yl acetate | C21H18O9

(2R,3aS,12cS)-8-Hydroxy-6,11-dimethoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-2-yl acetate

  • Molecular FormulaC21H18O9
  • Average mass414.362 Da
  • Monoisotopic mass414.095093 Da
  • ChemSpider ID78442036

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3aS,12cS)-8-Hydroxy-6,11-dimethoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-2-yl acetate [ACD/IUPAC Name]
(2R,3aS,12cS)-8-Hydroxy-6,11-dimethoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-2-yl-acetat [German] [ACD/IUPAC Name]
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 2-(acetyloxy)-1,2,3a,12c-tetrahydro-8-hydroxy-6,11-dimethoxy-, (2R,3aS,12cS)- [ACD/Index Name]
Acétate de (2R,3aS,12cS)-8-hydroxy-6,11-diméthoxy-7-oxo-1,2,3a,12c-tétrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthén-2-yle [French] [ACD/IUPAC Name]
Oxisterigmatocystin D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 644.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 230.9±25.0 °C
Index of Refraction: 1.664
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.14
ACD/KOC (pH 5.5): 318.27
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 10.79
ACD/KOC (pH 7.4): 155.10
Polar Surface Area: 110 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 267.1±5.0 cm3

Click to predict properties on the Chemicalize site


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