ChemSpider 2D Image | (1S)-4-O-beta-D-Allopyranosyl-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-D-allitol | C28H32O15

(1S)-4-O-β-D-Allopyranosyl-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-D-allitol

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID115806
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1S)-4-O-β-D-Allopyranosyl-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-D-allitol [ACD/IUPAC Name]
(1S)-4-O-β-D-Allopyranosyl-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-D-allitol [German] [ACD/IUPAC Name]
(1S)-4-O-β-D-Allopyranosyl-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphényl)-7-méthoxy-4-oxo-4H-chromén-6-yl]-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 4-O-β-D-allopyranosyl-1,5-anhydro-1-C-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
108657-24-5 [RN]
4H-1-Benzopyran-4-one, 6-(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
Zivulgarin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 901.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 296.7±27.8 °C
Index of Refraction: 1.734
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.52
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 110.4±5.0 dyne/cm
Molar Volume: 353.2±5.0 cm3

Click to predict properties on the Chemicalize site






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