ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-8-yl]-D-glucitol | C22H24O12

(1S)-1,5-Anhydro-1-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-8-yl]-D-glucitol

  • Molecular FormulaC22H24O12
  • Average mass480.419 Da
  • Monoisotopic mass480.126770 Da
  • ChemSpider ID24672388

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2R,3R)-2-(3,4-dihydroxyphényl)-3,5-dihydroxy-7-méthoxy-4-oxo-3,4-dihydro-2H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5-dihydroxy-7-methoxy-4-oxo-2H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
NOIDESOL A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 863.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 300.6±27.8 °C
Index of Refraction: 1.715
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 41.68
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.10
Polar Surface Area: 207 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 96.5±3.0 dyne/cm
Molar Volume: 286.0±3.0 cm3

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