Found 1 result

Search term: 58196907 (Found by CSID)
ChemSpider 2D Image | (2R,3S)-3-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-2-(2-hydroxy-2-propanyl)-4-indanecarbaldehyde | C21H22Cl2O6

(2R,3S)-3-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-2-(2-hydroxy-2-propanyl)-4-indanecarbaldehyde

  • Molecular FormulaC21H22Cl2O6
  • Average mass441.302 Da
  • Monoisotopic mass440.079346 Da
  • ChemSpider ID58196907

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-(3,5-Dichlor-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-2-(2-hydroxy-2-propanyl)-4-indancarbaldehyd [German] [ACD/IUPAC Name]
(2R,3S)-3-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-2-(2-hydroxy-2-propanyl)-4-indanecarbaldehyde [ACD/IUPAC Name]
(2R,3S)-3-(3,5-Dichloro-2-hydroxy-6-méthoxy-4-méthylphényl)-5,7-dihydroxy-2-(2-hydroxy-2-propanyl)-4-indanecarbaldéhyde [French] [ACD/IUPAC Name]
1H-Indene-4-carboxaldehyde, 3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-2,3-dihydro-5,7-dihydroxy-2-(1-hydroxy-1-methylethyl)-, (2R,3S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 560.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 111.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9094.99
ACD/KOC (pH 5.5): 23640.25
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 3963.69
ACD/KOC (pH 7.4): 10302.66
Polar Surface Area: 107 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 301.1±3.0 cm3

Click to predict properties on the Chemicalize site


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