ChemSpider 2D Image | (2S,3S)-6,8-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-h]chromen-7-one | C25H20O10

(2S,3S)-6,8-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-h]chromen-7-one

  • Molecular FormulaC25H20O10
  • Average mass480.420 Da
  • Monoisotopic mass480.105652 Da
  • ChemSpider ID82965259

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-6,8-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-h]chromen-7-on [German] [ACD/IUPAC Name]
(2S,3S)-6,8-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-h]chromen-7-one [ACD/IUPAC Name]
(2S,3S)-6,8-Dihydroxy-3-(4-hydroxy-3-méthoxyphényl)-2-(hydroxyméthyl)-9-(4-hydroxyphényl)-2,3-dihydro-7H-[1,4]dioxino[2,3-h]chromén-7-one [French] [ACD/IUPAC Name]
7H-Pyrano[2,3-f]-1,4-benzodioxin-7-one, 2,3-dihydro-6,8-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-, (2S,3S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 787.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 273.3±26.4 °C
Index of Refraction: 1.712
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.24
ACD/KOC (pH 5.5): 283.86
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 47.75
Polar Surface Area: 155 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 78.3±3.0 dyne/cm
Molar Volume: 305.2±3.0 cm3

Click to predict properties on the Chemicalize site


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