ChemSpider 2D Image | 3,5,6-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl hydrogen sulfite | C16H16O9S

3,5,6-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl hydrogen sulfite

  • Molecular FormulaC16H16O9S
  • Average mass384.358 Da
  • Monoisotopic mass384.051514 Da
  • ChemSpider ID74852030

More details:

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

2H-1-Benzopyran-3,5,6,7-tetrol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, 7-(hydrogen sulfite) [ACD/Index Name]
3,5,6-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl hydrogen sulfite [ACD/IUPAC Name]
3,5,6-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ylhydrogensulfit [German] [ACD/IUPAC Name]
Hydrogénosulfite de 3,5,6-trihydroxy-2-(4-hydroxy-3-méthoxyphényl)-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
[3,5,6-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfinic acid

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

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

Density: 1.7±0.1 g/cm3
Boiling Point: 721.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 390.1±35.7 °C
Index of Refraction: 1.753
Molar Refractivity: 90.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 100.9±3.0 dyne/cm
Molar Volume: 222.3±3.0 cm3

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