ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-isopropyl-4-oxo-4H-chromen-8-yl)-D-glucitol | C18H22O9

(1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-isopropyl-4-oxo-4H-chromen-8-yl)-D-glucitol

  • Molecular FormulaC18H22O9
  • Average mass382.362 Da
  • Monoisotopic mass382.126373 Da
  • ChemSpider ID23339477

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-isopropyl-4-oxo-4H-chromen-8-yl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-isopropyl-4-oxo-4H-chromen-8-yl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-isopropyl-4-oxo-4H-chromén-8-yl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[5,7-dihydroxy-2-(1-methylethyl)-4-oxo-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
(1S)-1,5-anhydro-1-[5,7-dihydroxy-4-oxo-2-(propan-2-yl)-4H-chromen-8-yl]-D-glucitol
188785-44-6 [RN]
5,7-dihydroxy-2-propan-2-yl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
8-Glucosyl-5,7-dihydroxy-2-isopropylchromone
8-β-C-glucopyranosyl-5,7-dihydroxy-2-isopropylchromone
8-β-D-Glucopyranosyl-5,7-dihydroxy-2-isopropylchromone
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 642.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 231.9±25.0 °C
Index of Refraction: 1.665
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 56.92
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.00
Polar Surface Area: 157 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 81.2±3.0 dyne/cm
Molar Volume: 245.8±3.0 cm3

Click to predict properties on the Chemicalize site


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