ChemSpider 2D Image | 3-[(2S)-4-Acetoxy-1-hydroxy-2-butanyl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenolate | C20H17O9

3-[(2S)-4-Acetoxy-1-hydroxy-2-butanyl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenolate

  • Molecular FormulaC20H17O9
  • Average mass401.344 Da
  • Monoisotopic mass401.087799 Da
  • ChemSpider ID28639093

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2S)-4-Acetoxy-1-hydroxy-2-butanyl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenolat [German] [ACD/IUPAC Name]
3-[(2S)-4-Acetoxy-1-hydroxy-2-butanyl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenolate [ACD/IUPAC Name]
3-[(2S)-4-Acétoxy-1-hydroxy-2-butanyl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydro-2-anthracénolate [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 2-[(1S)-3-(acetyloxy)-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy-, ion(1-) [ACD/Index Name]
(3S)-versiconol acetate
(3S)-versiconol acetate(1-)
3-[(2S)-4-acetoxy-1-hydroxybutan-2-yl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate

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

Density:
Boiling Point: 754.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 271.2±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 123.49
ACD/KOC (pH 5.5): 945.31
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.33
Polar Surface Area: 164 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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