ChemSpider 2D Image | (2S,3S)-versiconal hemiacetal acetate | C20H16O9

(2S,3S)-versiconal hemiacetal acetate

  • Molecular FormulaC20H16O9
  • Average mass400.336 Da
  • Monoisotopic mass400.079437 Da
  • ChemSpider ID28639091

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-versiconal hemiacetal acetate
2-[(2S,3S)-2,4,6,8-Tetrahydroxy-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-3-yl]ethyl acetate [ACD/IUPAC Name]
2-[(2S,3S)-2,4,6,8-Tetrahydroxy-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-3-yl]ethyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-[(2S,3S)-2,4,6,8-tétrahydroxy-5,10-dioxo-2,3,5,10-tétrahydroanthra[2,3-b]furan-3-yl]éthyle [French] [ACD/IUPAC Name]
Anthra[2,3-b]furan-5,10-dione, 3-[2-(acetyloxy)ethyl]-2,3-dihydro-2,4,6,8-tetrahydroxy-, (2S,3S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 642.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 232.1±25.0 °C
Index of Refraction: 1.705
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 64.15
ACD/KOC (pH 5.5): 598.68
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 151 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 85.5±3.0 dyne/cm
Molar Volume: 245.5±3.0 cm3

Click to predict properties on the Chemicalize site


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