ChemSpider 2D Image | 5-Hydroxy-2-(4-methoxyphenyl)-7-{[(3R,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}-4H-chromen-4-one (non-preferred name) | C21H20O10

5-Hydroxy-2-(4-methoxyphenyl)-7-{[(3R,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}-4H-chromen-4-one (non-preferred name)

  • Molecular FormulaC21H20O10
  • Average mass432.378 Da
  • Monoisotopic mass432.105652 Da
  • ChemSpider ID57260209

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

5-Hydroxy-2-(4-methoxyphenyl)-7-{[(3R,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}-4H-chromen-4-on (non-preferred name) [German] [ACD/IUPAC Name]
5-Hydroxy-2-(4-methoxyphenyl)-7-{[(3R,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}-4H-chromen-4-one (non-preferred name) [ACD/IUPAC Name]
5-Hydroxy-2-(4-méthoxyphényl)-7-{[(3R,4S,5S,6S)-3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yl]oxy}-4H-chromén-4-one (non-preferred name) [French] [ACD/IUPAC Name]
79079-11-1 [RN]
Calpastatin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 729.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 259.0±26.4 °C
Index of Refraction: 1.705
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 3.96
ACD/KOC (pH 5.5): 87.26
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.18
Polar Surface Area: 155 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 87.5±3.0 dyne/cm
Molar Volume: 267.2±3.0 cm3

Click to predict properties on the Chemicalize site


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