ChemSpider 2D Image | (2R,3S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',7,7',8,8'-hexahydroxy-3,4-dihydro-2H,4'H-4,5'-bichromen-4'-one | C30H22O13

(2R,3S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',7,7',8,8'-hexahydroxy-3,4-dihydro-2H,4'H-4,5'-bichromen-4'-one

  • Molecular FormulaC30H22O13
  • Average mass590.488 Da
  • Monoisotopic mass590.106018 Da
  • ChemSpider ID9061714
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,3S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',7,7',8,8'-hexahydroxy-3,4-dihydro-2H,4'H-4,5'-bichromen-4'-on [German] [ACD/IUPAC Name]
(2R,3S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',7,7',8,8'-hexahydroxy-3,4-dihydro-2H,4'H-4,5'-bichromen-4'-one [ACD/IUPAC Name]
(2R,3S,4R)-2,2'-Bis(3,4-dihydroxyphényl)-3,3',7,7',8,8'-hexahydroxy-3,4-dihydro-2H,4'H-4,5'-bichromén-4'-one [French] [ACD/IUPAC Name]
[4,5'-Bi-4H-1-benzopyran]-4'-one, 2,2'-bis(3,4-dihydroxyphenyl)-2,3-dihydro-3,3',7,7',8,8'-hexahydroxy-, (2R,3S,4R)- [ACD/Index Name]
437658-41-8 [RN]
Mesquitol-(4[α][to]5)-3,3',4',7,8-pentahydroxyflavonone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 963.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.1±3.0 kJ/mol
Flash Point: 321.3±27.8 °C
Index of Refraction: 1.850
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.98
ACD/KOC (pH 5.5): 90.82
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.51
Polar Surface Area: 238 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 120.7±3.0 dyne/cm
Molar Volume: 324.9±3.0 cm3

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