Found 3 results

Search term: QPAKXSCQEJXHSW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-5,5',7-Trihydroxy-2',2'-dimethyl-2,3-dihydro-2'H,4H-2,8'-bichromen-4-one | C20H18O6

(2R)-5,5',7-Trihydroxy-2',2'-dimethyl-2,3-dihydro-2'H,4H-2,8'-bichromen-4-one

  • Molecular FormulaC20H18O6
  • Average mass354.353 Da
  • Monoisotopic mass354.110352 Da
  • ChemSpider ID82965847

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-5,5',7-Trihydroxy-2',2'-dimethyl-2,3-dihydro-2'H,4H-2,8'-bichromen-4-on [German] [ACD/IUPAC Name]
(2R)-5,5',7-Trihydroxy-2',2'-dimethyl-2,3-dihydro-2'H,4H-2,8'-bichromen-4-one [ACD/IUPAC Name]
(2R)-5,5',7-Trihydroxy-2',2'-diméthyl-2,3-dihydro-2'H,4H-2,8'-bichromén-4-one [French] [ACD/IUPAC Name]
[2,8'-Bi-2H-1-benzopyran]-4(3H)-one, 5,5',7-trihydroxy-2',2'-dimethyl-, (2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 218.5±25.0 °C
Index of Refraction: 1.657
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 592.13
ACD/KOC (pH 5.5): 3339.62
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 228.16
ACD/KOC (pH 7.4): 1286.83
Polar Surface Area: 96 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 252.9±3.0 cm3

Click to predict properties on the Chemicalize site


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