ChemSpider 2D Image | SC3-22-3 | C20H18O8

SC3-22-3

  • Molecular FormulaC20H18O8
  • Average mass386.352 Da
  • Monoisotopic mass386.100159 Da
  • ChemSpider ID28639103

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-versicolorone
1,3,6,8-Tetrahydroxy-2-[(2S)-1-hydroxy-5-oxo-2-hexanyl]-9,10-anthrachinon [German] [ACD/IUPAC Name]
1,3,6,8-Tetrahydroxy-2-[(2S)-1-hydroxy-5-oxo-2-hexanyl]-9,10-anthraquinone [ACD/IUPAC Name]
1,3,6,8-Tétrahydroxy-2-[(2S)-1-hydroxy-5-oxo-2-hexanyl]-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-[(1S)-1-(hydroxymethyl)-4-oxopentyl]- [ACD/Index Name]
SC3-22-3
(2S)-versicolorone anthraquinone form
(2S)-versicolorone tricyclic form
1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-anthraquinone

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

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: 3.57
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 67.37
ACD/KOC (pH 5.5): 615.33
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
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


Advertisement