ChemSpider 2D Image | Diffutidin | C17H18O5

Diffutidin

  • Molecular FormulaC17H18O5
  • Average mass302.322 Da
  • Monoisotopic mass302.115417 Da
  • ChemSpider ID24842661
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-(3,4-Dimethoxyphenyl)-5,7-chromandiol [German] [ACD/IUPAC Name]
(2S)-2-(3,4-Dimethoxyphenyl)-5,7-chromanediol [ACD/IUPAC Name]
(2S)-2-(3,4-Diméthoxyphényl)-5,7-chromanediol [French] [ACD/IUPAC Name]
(S)-2-(3,4-Dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5,7-diol
2H-1-Benzopyran-5,7-diol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-, (2S)- [ACD/Index Name]
89289-92-9 [RN]
Diffutidin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 504.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 259.1±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.61
ACD/KOC (pH 5.5): 827.05
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.89
ACD/KOC (pH 7.4): 819.97
Polar Surface Area: 68 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 236.4±3.0 cm3

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