ChemSpider 2D Image | (S)-5'-oxoaverantin | C20H18O8

(S)-5'-oxoaverantin

  • Molecular FormulaC20H18O8
  • Average mass386.352 Da
  • Monoisotopic mass386.100159 Da
  • ChemSpider ID28533698

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-5'-oxoaverantin
1,3,6,8-Tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]-9,10-anthrachinon [German] [ACD/IUPAC Name]
1,3,6,8-Tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]-9,10-anthraquinone [ACD/IUPAC Name]
1,3,6,8-Tétrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]- [ACD/Index Name]
5'-ketoaverantin
5'-oxoaverantin
OAVN
  • Miscellaneous

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

Density: 1.6±0.1 g/cm3
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: 1.704
Molar Refractivity: 95.8±0.3 cm3
#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: 152 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 87.1±3.0 dyne/cm
Molar Volume: 247.0±3.0 cm3

Click to predict properties on the Chemicalize site


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