ChemSpider 2D Image | 2H-1-Benzopyran-3,5,7-triol, 2-[2,2-bis[4-(acetyloxy)phenyl]-1,3-benzodioxol-5-yl]-3,4-dihydro-, (2R-trans)- | C32H26O10

2H-1-Benzopyran-3,5,7-triol, 2-[2,2-bis[4-(acetyloxy)phenyl]-1,3-benzodioxol-5-yl]-3,4-dihydro-, (2R-trans)-

  • Molecular FormulaC32H26O10
  • Average mass570.543 Da
  • Monoisotopic mass570.152588 Da
  • ChemSpider ID21165332

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{5-[(2R,3S)-3,5,7-Trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1,3-benzodioxol-2,2-diyl}di-4,1-phenylen-diacetat [German] [ACD/IUPAC Name]
{5-[(2R,3S)-3,5,7-Trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1,3-benzodioxole-2,2-diyl}di-4,1-phenylene diacetate [ACD/IUPAC Name]
289-489-1 [EINECS]
2H-1-Benzopyran-3,5,7-triol, 2-[2,2-bis[4-(acetyloxy)phenyl]-1,3-benzodioxol-5-yl]-3,4-dihydro-, (2R,3S)- [ACD/Index Name]
2H-1-Benzopyran-3,5,7-triol, 2-[2,2-bis[4-(acetyloxy)phenyl]-1,3-benzodioxol-5-yl]-3,4-dihydro-, (2R-trans)-
89329-11-3 [RN]
Diacétate de {5-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl]-1,3-benzodioxole-2,2-diyl}di-4,1-phénylène [French] [ACD/IUPAC Name]
(2R-trans)-2-(2,2-Bis(4-(acetoxy)phenyl)-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2R-trans)-2-[2,2-bis[4-(acetoxy)phenyl]-1,3-benzodioxol-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 768.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 251.9±26.4 °C
Index of Refraction: 1.662
Molar Refractivity: 147.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 558.89
ACD/KOC (pH 5.5): 3221.97
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 552.70
ACD/KOC (pH 7.4): 3186.25
Polar Surface Area: 141 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 398.6±3.0 cm3

Click to predict properties on the Chemicalize site


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