Found 3 results

Search term: ULRIJTFKMHYWQE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3S)-5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-8-phenyl-2,3-dihydro-10H-[1,4]dioxino[2,3-f]chromen-10-one | C25H20O8

(2R,3S)-5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-8-phenyl-2,3-dihydro-10H-[1,4]dioxino[2,3-f]chromen-10-one

  • Molecular FormulaC25H20O8
  • Average mass448.422 Da
  • Monoisotopic mass448.115814 Da
  • ChemSpider ID62466121

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-8-phenyl-2,3-dihydro-10H-[1,4]dioxino[2,3-f]chromen-10-on [German] [ACD/IUPAC Name]
(2R,3S)-5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-8-phenyl-2,3-dihydro-10H-[1,4]dioxino[2,3-f]chromen-10-one [ACD/IUPAC Name]
(2R,3S)-5-Hydroxy-2-(4-hydroxy-3-méthoxyphényl)-3-(hydroxyméthyl)-8-phényl-2,3-dihydro-10H-[1,4]dioxino[2,3-f]chromén-10-one [French] [ACD/IUPAC Name]
10H-Pyrano[3,2-f]-1,4-benzodioxin-10-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-8-phenyl-, (2R,3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 251.2±26.4 °C
Index of Refraction: 1.667
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.06
ACD/KOC (pH 5.5): 750.67
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 11.98
ACD/KOC (pH 7.4): 119.82
Polar Surface Area: 115 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 311.8±3.0 cm3

Click to predict properties on the Chemicalize site


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