ChemSpider 2D Image | Chaetochromin D | C30H24O10

Chaetochromin D

  • Molecular FormulaC30H24O10
  • Average mass544.506 Da
  • Monoisotopic mass544.136963 Da
  • ChemSpider ID24672530

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tetramethyl-2,3-dihydro-4H,4'H-9,9'-bibenzo[g]chromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,3S)-5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tetramethyl-2,3-dihydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione [ACD/IUPAC Name]
(2S,3S)-5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tétraméthyl-2,3-dihydro-4H,4'H-9,9'-bibenzo[g]chromène-4,4'-dione [French] [ACD/IUPAC Name]
[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 2,3-dihydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-, (2S,3S)- [ACD/Index Name]
Chaetochromin D
108906-67-8 [RN]
  • Miscellaneous

    • Chemical Class:

      A biaryl that is 2,3-dihydro-4<element>H</element>,4<apostrophe/><element>H</element>-9,9<apostrophe/>-bibenzo[<ital>g</ital>]chromene-4,4<apostrophe/>-dione substituted by hydroxy groups at position s 5, 5<apostrophe/>, 6, 6<apostrophe/>, 8 and 8<apostrophe/> and methyl groups at positions 2, 2<apostrophe/>, 3 and 3<apostrophe/>. It has been isolated from <ital>Chaetomium gracile</ital>. ChEBI CHEBI:68800
      A biaryl that is 2,3-dihydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at position; s 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2', 3 and 3'. It has been isolated from Chaetomium gracile. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68800
      A biaryl that is 2,3-dihydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2', 3 and 3'. It has been is olated from Chaetomium gracile. ChEBI CHEBI:68800

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

Density: 1.5±0.1 g/cm3
Boiling Point: 776.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 259.5±26.4 °C
Index of Refraction: 1.756
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 351.5±3.0 cm3

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