Found 2 results

Search term: MF = 'C_{17}H_{14}O_{13}S_{2}'
ChemSpider 2D Image | 5-Hydroxy-7-methoxy-2-[4-methoxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl hydrogen sulfate | C17H14O13S2

5-Hydroxy-7-methoxy-2-[4-methoxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl hydrogen sulfate

  • Molecular FormulaC17H14O13S2
  • Average mass490.415 Da
  • Monoisotopic mass489.987579 Da
  • ChemSpider ID24845320

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-[4-methoxy-3-(sulfooxy)phenyl]-3-(sulfooxy)- [ACD/Index Name]
5-Hydroxy-7-methoxy-2-[4-methoxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl hydrogen sulfate [ACD/IUPAC Name]
5-Hydroxy-7-methoxy-2-[4-methoxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 5-hydroxy-7-méthoxy-2-[4-méthoxy-3-(sulfooxy)phényl]-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Ombuin 3,3'-di-O-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.716
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -6.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 104.1±5.0 dyne/cm
Molar Volume: 262.0±5.0 cm3

Click to predict properties on the Chemicalize site


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