ChemSpider 2D Image | (1S,3S,4S,4'R)-1,4',7-Trihydroxy-3,9-dimethoxy-1-methyl-2,3,3',4'-tetrahydro-1H,5'H,6H-spiro[benzo[c]chromene-4,2'-furan]-5',6-dione | C19H20O9

(1S,3S,4S,4'R)-1,4',7-Trihydroxy-3,9-dimethoxy-1-methyl-2,3,3',4'-tetrahydro-1H,5'H,6H-spiro[benzo[c]chromene-4,2'-furan]-5',6-dione

  • Molecular FormulaC19H20O9
  • Average mass392.357 Da
  • Monoisotopic mass392.110718 Da
  • ChemSpider ID76771869

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3S,4S,4'R)-1,4',7-Trihydroxy-3,9-dimethoxy-1-methyl-2,3,3',4'-tetrahydro-1H,5'H,6H-spiro[benzo[c]chromene-4,2'-furan]-5',6-dione [ACD/IUPAC Name]
Spiro[1H-dibenzo[b,d]pyran-4(6H),2'(5'H)-furan]-5',6-dione, 2,3,3',4'-tetrahydro-1,4',7-trihydroxy-3,9-dimethoxy-1-methyl-, (1S,3S,4S,4'R)- [ACD/Index Name]
Rhizopycnolide B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 710.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 257.8±26.4 °C
Index of Refraction: 1.655
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.67
ACD/KOC (pH 5.5): 258.27
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 4.60
ACD/KOC (pH 7.4): 71.30
Polar Surface Area: 132 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 250.7±5.0 cm3

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