ChemSpider 2D Image | 2-{(5S,11aR)-3,11a-Di[(2S)-2-butanyl]-2,4-dihydroxy-5-oxido-1-oxo-1,11a-dihydro-2H-pyrazino[1,2-b][1,4,2]benzodioxazin-9-yl}-3,6-dihydroxy-5-(4-hydroxyphenyl)-1,4-benzoquinone | C30H30N2O11

2-{(5S,11aR)-3,11a-Di[(2S)-2-butanyl]-2,4-dihydroxy-5-oxido-1-oxo-1,11a-dihydro-2H-pyrazino[1,2-b][1,4,2]benzodioxazin-9-yl}-3,6-dihydroxy-5-(4-hydroxyphenyl)-1,4-benzoquinone

  • Molecular FormulaC30H30N2O11
  • Average mass594.566 Da
  • Monoisotopic mass594.184937 Da
  • ChemSpider ID8659031

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[(5S,11aR)-1,11a-dihydro-2,4-dihydroxy-3,11a-bis[(1S)-1-methylpropyl]-5-oxido-1-oxo-2H-pyrazino[1,2-b][1,4,2]benzodioxazin-9-yl]-3,6-dihydroxy-5-(4-hydroxyphenyl)- [ACD/Index Name]
2-{(5S,11aR)-3,11a-Di[(2S)-2-butanyl]-2,4-dihydroxy-1-oxo-5-oxydo-1,11a-dihydro-2H-pyrazino[1,2-b][1,4,2]benzodioxazin-9-yl}-3,6-dihydroxy-5-(4-hydroxyphényl)-1,4-benzoquinone [French] [ACD/IUPAC Name]
2-{(5S,11aR)-3,11a-Di[(2S)-2-butanyl]-2,4-dihydroxy-5-oxido-1-oxo-1,11a-dihydro-2H-pyrazino[1,2-b][1,4,2]benzodioxazin-9-yl}-3,6-dihydroxy-5-(4-hydroxyphenyl)-1,4-benzochinon [German] [ACD/IUPAC Name]
2-{(5S,11aR)-3,11a-Di[(2S)-2-butanyl]-2,4-dihydroxy-5-oxido-1-oxo-1,11a-dihydro-2H-pyrazino[1,2-b][1,4,2]benzodioxazin-9-yl}-3,6-dihydroxy-5-(4-hydroxyphenyl)-1,4-benzoquinone [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 191 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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