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Search term: 24845989 (Found by CSID)
ChemSpider 2D Image | 2-[(1S,2R)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-5-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2,4,6-trihydroxyphenyl)ethanone | C26H32O7

2-[(1S,2R)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-5-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2,4,6-trihydroxyphenyl)ethanone

  • Molecular FormulaC26H32O7
  • Average mass456.528 Da
  • Monoisotopic mass456.214813 Da
  • ChemSpider ID24845989

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(1S,2R)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-5-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2,4,6-trihydroxyphenyl)ethanon [German] [ACD/IUPAC Name]
2-[(1S,2R)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-5-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2,4,6-trihydroxyphenyl)ethanone [ACD/IUPAC Name]
2-[(1S,2R)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-5-méthoxy-6-(3-méthyl-2-butén-1-yl)-2,3-dihydro-1H-indén-1-yl]-1-(2,4,6-trihydroxyphényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(1S,2R)-2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methoxy-6-(3-methyl-2-buten-1-yl)-1H-inden-1-yl]-1-(2,4,6-trihydroxyphenyl)- [ACD/Index Name]
Antiarone J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 211.8±25.0 °C
Index of Refraction: 1.621
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5218.89
ACD/KOC (pH 5.5): 15813.45
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1504.30
ACD/KOC (pH 7.4): 4558.08
Polar Surface Area: 127 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

Click to predict properties on the Chemicalize site


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