ChemSpider 2D Image | (2R,3S)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one | C20H18O8

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

  • Molecular FormulaC20H18O8
  • Average mass386.352 Da
  • Monoisotopic mass386.100159 Da
  • ChemSpider ID128925199

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-on [German] [ACD/IUPAC Name]
(2R,3S)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one [ACD/IUPAC Name]
(2R,3S)-2-(4-Hydroxy-3-méthoxyphényl)-3-(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-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-, (2R,3S)- [ACD/Index Name]
76985-93-8 [RN]
9H-Pyrano(2,3-f)-1,4-benzodioxin-9-one, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-, trans-(±)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 228.5±25.0 °C
Index of Refraction: 1.618
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.43
ACD/KOC (pH 5.5): 235.15
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.35
ACD/KOC (pH 7.4): 233.85
Polar Surface Area: 104 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 275.2±3.0 cm3

Click to predict properties on the Chemicalize site


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