ChemSpider 2D Image | (-)-Morelloflavone | C30H20O11

(-)-Morelloflavone

  • Molecular FormulaC30H20O11
  • Average mass556.473 Da
  • Monoisotopic mass556.100586 Da
  • ChemSpider ID4576660
  • defined stereocentres - 2 of 2 defined stereocentres


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(-)-Morelloflavone
(2S,3R)-2'-(3,4-Dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,3R)-2'-(3,4-Dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,3R)-2'-(3,4-Dihydroxyphényl)-5,5',7,7'-tétrahydroxy-2-(4-hydroxyphényl)-2,3-dihydro-4H,4'H-3,8'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
(3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, (2S-trans)-
[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, (2S,3R)- [ACD/Index Name]
Morelloflavone [Wiki]
[3,8'-Bi-4H-1-benzopyran]-4,4'-dione,2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-,(2R,3S)-
16851-21-1 [RN]
2-(3,4-dihydroxyphenyl)-2'-(4-hydroxyphenyl)-3'-methyl-2',3'-dihydro-3',8-bis[5,7-dihydroxy-4H-chromen-4-one]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS046009 [DBID]
AIDS-046009 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 922.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 310.6±27.8 °C
Index of Refraction: 1.790
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 602.94
ACD/KOC (pH 5.5): 2994.54
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 3.74
ACD/KOC (pH 7.4): 18.59
Polar Surface Area: 194 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 96.9±3.0 dyne/cm
Molar Volume: 331.0±3.0 cm3

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