ChemSpider 2D Image | (2R,3S)-2-[2-(4-Nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-3,5,7-chromanetriol | C28H21NO8

(2R,3S)-2-[2-(4-Nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-3,5,7-chromanetriol

  • Molecular FormulaC28H21NO8
  • Average mass499.468 Da
  • Monoisotopic mass499.126709 Da
  • ChemSpider ID21165333

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,3S)-2-[2-(4-Nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-3,5,7-chromanetriol [ACD/IUPAC Name]
(2R,3S)-2-[2-(4-Nitrophényl)-2-phényl-1,3-benzodioxol-5-yl]-3,5,7-chromanetriol [French] [ACD/IUPAC Name]
(2R,3S)-2-[2-(4-Nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-3,5,7-chromantriol [German] [ACD/IUPAC Name]
289-490-7 [EINECS]
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-[2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-, (2R,3S)- [ACD/Index Name]
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-[2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-, (2R-trans)-
89329-12-4 [RN]
(2R-trans)-3,4-Dihydro-2-(2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl)-2H-1-benzopyran-3,5,7-triol
(2R-trans)-3,4-dihydro-2-[2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-2H-1-benzopyran-3,5,7-triol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 746.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.2±32.9 °C
Index of Refraction: 1.713
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1070.09
ACD/KOC (pH 5.5): 5129.11
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1058.23
ACD/KOC (pH 7.4): 5072.25
Polar Surface Area: 134 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 76.2±3.0 dyne/cm
Molar Volume: 335.2±3.0 cm3

Click to predict properties on the Chemicalize site


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