ChemSpider 2D Image | 4,5,7-Trihydroxy-6-[(1S)-1-hydroxy-5-oxohexyl]-9,10-dioxo-9,10-dihydro-2-anthracenolate | C20H17O8

4,5,7-Trihydroxy-6-[(1S)-1-hydroxy-5-oxohexyl]-9,10-dioxo-9,10-dihydro-2-anthracenolate

  • Molecular FormulaC20H17O8
  • Average mass385.345 Da
  • Monoisotopic mass385.092896 Da
  • ChemSpider ID31150437

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4,5,7-Trihydroxy-6-[(1S)-1-hydroxy-5-oxohexyl]-9,10-dioxo-9,10-dihydro-2-anthracenolat [German] [ACD/IUPAC Name]
4,5,7-Trihydroxy-6-[(1S)-1-hydroxy-5-oxohexyl]-9,10-dioxo-9,10-dihydro-2-anthracenolate [ACD/IUPAC Name]
4,5,7-Trihydroxy-6-[(1S)-1-hydroxy-5-oxohexyl]-9,10-dioxo-9,10-dihydro-2-anthracénolate [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]-, ion(1-) [ACD/Index Name]
(S)-5'-oxoaverantin
(S)-5'-oxoaverantin(1-)
4,5,7-trihydroxy-6-[(1S)-1-hydroxy-5-oxohexyl]-9,10-dioxo-9,10-dihydroanthracen-2-olate
  • Miscellaneous

    • Chemical Class:

      A phenolate anion obtained by deprotonation of the 2-hydroxy group of (S)-5'-oxoaverantin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77933

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

Density:
Boiling Point: 781.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 440.1±29.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 69.43
ACD/KOC (pH 5.5): 614.20
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 155 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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