ChemSpider 2D Image | (2S,3S)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one | C21H20O9

(2S,3S)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one

  • Molecular FormulaC21H20O9
  • Average mass416.378 Da
  • Monoisotopic mass416.110718 Da
  • ChemSpider ID28285430

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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(2S,3S)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-on [German] [ACD/IUPAC Name]
(2S,3S)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one [ACD/IUPAC Name]
(2S,3S)-3-(4-Hydroxy-3,5-diméthoxyphényl)-2-(hydroxyméthyl)-5-méthoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromén-9-one [French] [ACD/IUPAC Name]
9H-Pyrano[2,3-f]-1,4-benzodioxin-9-one, 2,3-dihydro-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-, (2S,3S)- [ACD/Index Name]
Cleomiscosin C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 647.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 229.9±25.0 °C
Index of Refraction: 1.606
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.39
ACD/KOC (pH 5.5): 185.84
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.33
ACD/KOC (pH 7.4): 184.85
Polar Surface Area: 113 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 299.2±3.0 cm3

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