Found 3 results

Search term: MF = 'C_{22}H_{28}O_{11}S'
ChemSpider 2D Image | 1-{3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy}-5,6-dihydroxy-3-hexanesulfonic acid | C22H28O11S

1-{3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy}-5,6-dihydroxy-3-hexanesulfonic acid

  • Molecular FormulaC22H28O11S
  • Average mass500.516 Da
  • Monoisotopic mass500.135223 Da
  • ChemSpider ID134940

More details:

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

1-{3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy}-5,6-dihydroxy-3-hexanesulfonic acid [ACD/IUPAC Name]
1-{3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy}-5,6-dihydroxy-3-hexansulfonsäure [German] [ACD/IUPAC Name]
3-Hexanesulfonic acid, 1-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]phenoxy]-5,6-dihydroxy- [ACD/Index Name]
Acide 1-{3,5-dihydroxy-4-[3-(3-hydroxy-4-méthoxyphényl)propanoyl]phénoxy}-5,6-dihydroxy-3-hexanesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 338.3±3.0 cm3

Click to predict properties on the Chemicalize site


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