ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[(2R,3R)-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-glucitol | C22H24O12

(1S)-1,5-Anhydro-1-[(2R,3R)-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-glucitol

  • Molecular FormulaC22H24O12
  • Average mass480.419 Da
  • Monoisotopic mass480.126770 Da
  • ChemSpider ID24672023
  • 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)-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2R,3R)-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2R,3R)-3,5,7-trihydroxy-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromén-6-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
NOIDESOL B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 875.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 304.7±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: 1.30
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 51.88
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.03
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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