ChemSpider 2D Image | (1S,3S,6S,7S,10S)-3-Hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-oxatricyclo[4.3.1.0~3,7~]dec-8-en-2-one | C25H22O10

(1S,3S,6S,7S,10S)-3-Hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

  • Molecular FormulaC25H22O10
  • Average mass482.436 Da
  • Monoisotopic mass482.121307 Da
  • ChemSpider ID62684424

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S,6S,7S,10S)-3-Hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-on [German] [ACD/IUPAC Name]
(1S,3S,6S,7S,10S)-3-Hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one [ACD/IUPAC Name]
(1S,3S,6S,7S,10S)-3-Hydroxy-10-(4-hydroxy-3-méthoxyphényl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-4-oxatricyclo[4.3.1.03,7]déc-8-én-2-one [French] [ACD/IUPAC Name]
3,6-Methanobenzofuran-7(6H)-one, 4-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-, (3S,3aS,6S,7aS,8S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 819.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 285.0±27.8 °C
Index of Refraction: 1.747
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.02
ACD/KOC (pH 5.5): 153.45
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 51.66
Polar Surface Area: 163 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 93.7±3.0 dyne/cm
Molar Volume: 287.9±3.0 cm3

Click to predict properties on the Chemicalize site


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