ChemSpider 2D Image | (3S)-versiconol acetate | C20H18O9

(3S)-versiconol acetate

  • Molecular FormulaC20H18O9
  • Average mass402.352 Da
  • Monoisotopic mass402.095093 Da
  • ChemSpider ID28639094

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-Hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)butyl acetate [ACD/IUPAC Name]
(3S)-4-Hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)butyl-acetat [German] [ACD/IUPAC Name]
(3S)-versiconol acetate
2-[(1S)-3-(Acetyloxy)-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy-9,10-anthracenedione
70979-72-5 [RN]
9,10-Anthracenedione, 2-[(1S)-3-(acetyloxy)-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy- [ACD/Index Name]
Acétate de (3S)-4-hydroxy-3-(1,3,6,8-tétrahydroxy-9,10-dioxo-9,10-dihydro-2-anthracényl)butyle [French] [ACD/IUPAC Name]
(3S)-4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butyl acetate
Versiconol acetate

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

K9TGA2Z1WA [DBID]
UNII:K9TGA2Z1WA [DBID]

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

Density: 1.6±0.1 g/cm3
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: 1.697
Molar Refractivity: 97.6±0.3 cm3
#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: 162 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 87.5±3.0 dyne/cm
Molar Volume: 253.4±3.0 cm3

Click to predict properties on the Chemicalize site


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