ChemSpider 2D Image | Adicardin | C20H24O12

Adicardin

  • Molecular FormulaC20H24O12
  • Average mass456.397 Da
  • Monoisotopic mass456.126770 Da
  • ChemSpider ID21615372

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

103529-94-8 [RN]
2H-1-Benzopyran-2-one, 7-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
2-Oxo-2H-chromen-7-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-Oxo-2H-chromen-7-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-glucopyranoside
2-Oxo-2H-chromen-7-yl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
Adicardin
Apiosylskimmin
MFCD09953804
[103529-94-8] [RN]
More...

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

Density: 1.7±0.1 g/cm3
Boiling Point: 804.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 284.0±27.8 °C
Index of Refraction: 1.686
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.06
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.06
Polar Surface Area: 185 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 97.0±5.0 dyne/cm
Molar Volume: 271.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement