ChemSpider 2D Image | (1'S,5'R)-5'-hydroxyaverantin | C20H20O8

(1'S,5'R)-5'-hydroxyaverantin

  • Molecular FormulaC20H20O8
  • Average mass388.368 Da
  • Monoisotopic mass388.115814 Da
  • ChemSpider ID28533644
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1'S,5'R)-5'-hydroxyaverantin
2-[(1S,5R)-1,5-Dihydroxyhexyl]-1,3,6,8-tetrahydroxy-9,10-anthrachinon [German] [ACD/IUPAC Name]
2-[(1S,5R)-1,5-Dihydroxyhexyl]-1,3,6,8-tetrahydroxy-9,10-anthraquinone [ACD/IUPAC Name]
2-[(1S,5R)-1,5-Dihydroxyhexyl]-1,3,6,8-tétrahydroxy-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 2-[(1S,5R)-1,5-dihydroxyhexyl]-1,3,6,8-tetrahydroxy- [ACD/Index Name]
151120-47-7 [RN]
  • Miscellaneous
    • Chemical Class:

      A hydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1,5-dihydroxyhexyl substituent at position 2 (the 1'<stereo>S</stereo>,5'<stereo>R</stereo>-diastereomer). ChEBI CHEBI:71536
      A hydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1,5-dihydroxyhexyl substituent at position 2 (the 1'S,5'R-diastereomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71536

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

Density: 1.6±0.1 g/cm3
Boiling Point: 789.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 445.2±29.4 °C
Index of Refraction: 1.715
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 75.98
ACD/KOC (pH 5.5): 658.02
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 156 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 90.6±3.0 dyne/cm
Molar Volume: 247.8±3.0 cm3

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