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Search term: KUWGHIQQQGCUJX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2''-O-alpha-L-arabinopyranosylisoscoparin | C27H30O15

2''-O-α-L-arabinopyranosylisoscoparin

  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID30785632

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2-O-α-L-arabinopyranosyl-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-α-L-arabinopyranosyl-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-α-L-arabinopyranosyl-1-[5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-6-yl]-D-glucitol [French] [ACD/IUPAC Name]
2''-O-α-L-arabinopyranosylisoscoparin
D-Glucitol, 1,5-anhydro-2-O-α-L-arabinopyranosyl-1-C-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
isoscoparin 2''-O-arabinoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 951.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.2±3.0 kJ/mol
Flash Point: 316.2±27.8 °C
Index of Refraction: 1.750
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.08
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 116.8±5.0 dyne/cm
Molar Volume: 336.1±5.0 cm3

Click to predict properties on the Chemicalize site


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