ChemSpider 2D Image | (9R)-4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl beta-D-gulopyranoside | C21H22O10

(9R)-4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl β-D-gulopyranoside

  • Molecular FormulaC21H22O10
  • Average mass434.393 Da
  • Monoisotopic mass434.121307 Da
  • ChemSpider ID32770162
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(9R)-4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl β-D-gulopyranoside [ACD/IUPAC Name]
(9R)-4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl-β-D-gulopyranosid [German] [ACD/IUPAC Name]
9(10H)-Anthracenone, 10-(β-D-gulopyranosyloxy)-1,8-dihydroxy-3-(hydroxymethyl)-, (10R)- [ACD/Index Name]
β-D-Gulopyranoside de (9R)-4,5-dihydroxy-2-(hydroxyméthyl)-10-oxo-9,10-dihydro-9-anthracényle [French] [ACD/IUPAC Name]
8024-48-4 [RN]
Casanthranol
Pharmakon1600-01506179

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 767.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 272.3±26.4 °C
Index of Refraction: 1.757
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.70
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.42
Polar Surface Area: 177 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 114.6±5.0 dyne/cm
Molar Volume: 251.5±5.0 cm3

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