ChemSpider 2D Image | 7-Hydroxy-12-(4-hydroxyphenyl)-2,4,13-trioxa-3-thiatricyclo[7.3.1.0~5,10~]trideca-1(12),5,7,9-tetraen-11-one 3,3-dioxide | C15H8O8S

7-Hydroxy-12-(4-hydroxyphenyl)-2,4,13-trioxa-3-thiatricyclo[7.3.1.05,10]trideca-1(12),5,7,9-tetraen-11-one 3,3-dioxide

  • Molecular FormulaC15H8O8S
  • Average mass348.284 Da
  • Monoisotopic mass347.993988 Da
  • ChemSpider ID67494634

More details:

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

3,3-Dioxyde de 7-hydroxy-12-(4-hydroxyphényl)-2,4,13-trioxa-3-thiatricyclo[7.3.1.05,10]tridéca-1(12),5,7,9-tétraén-11-one [French] [ACD/IUPAC Name]
4,7-Epoxy-6H-1,3,2-benzodioxathiocin-6-one, 9-hydroxy-5-(4-hydroxyphenyl)-, 2,2-dioxide [ACD/Index Name]
7-Hydroxy-12-(4-hydroxyphenyl)-2,4,13-trioxa-3-thiatricyclo[7.3.1.05,10]trideca-1(12),5,7,9-tetraen-11-on-3,3-dioxid [German] [ACD/IUPAC Name]
7-Hydroxy-12-(4-hydroxyphenyl)-2,4,13-trioxa-3-thiatricyclo[7.3.1.05,10]trideca-1(12),5,7,9-tetraen-11-one 3,3-dioxide [ACD/IUPAC Name]
daidzein sulfate

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

Density: 1.9±0.1 g/cm3
Boiling Point: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.796
Molar Refractivity: 77.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.16
ACD/KOC (pH 5.5): 154.58
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.91
ACD/KOC (pH 7.4): 36.23
Polar Surface Area: 128 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 109.3±5.0 dyne/cm
Molar Volume: 183.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement