ChemSpider 2D Image | Rhein-8-glucoside | C21H18O11

Rhein-8-glucoside

  • Molecular FormulaC21H18O11
  • Average mass446.361 Da
  • Monoisotopic mass446.084900 Da
  • ChemSpider ID44210498

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Anthracenecarboxylic acid, 5-(β-D-glucopyranosyloxy)-9,10-dihydro-4-hydroxy-9,10-dioxo- [ACD/Index Name]
34298-86-7 [RN]
5-(β-D-Glucopyranosyloxy)-4-hydroxy-9,10-dioxo-9,10-dihydro-2-anthracencarbonsäure [German] [ACD/IUPAC Name]
5-(β-D-Glucopyranosyloxy)-4-hydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid [ACD/IUPAC Name]
Acide 5-(β-D-glucopyranosyloxy)-4-hydroxy-9,10-dioxo-9,10-dihydro-2-anthracènecarboxylique [French] [ACD/IUPAC Name]
Rhein 8-O-β-D-glucopyranoside
Rhein-8-glucoside
2-Anthracenecarboxylicacid, 5-(b-D-glucopyranosyloxy)-9,10-dihydro-4-hydroxy-9,10-dioxo-
4-Hydroxy-9,10-dioxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,10-dihydroanthracene-2-carboxylic acid
Glucorhein
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 854.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.1±3.0 kJ/mol
Flash Point: 303.4±27.8 °C
Index of Refraction: 1.735
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 102.6±3.0 dyne/cm
Molar Volume: 257.1±3.0 cm3

Click to predict properties on the Chemicalize site


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