Found 2 results

Search term: MBAGYVLZIUCNCZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-(3-{4-[(5,6-Dihydroxy-3-sulfohexyl)oxy]-2,6-dihydroxyphenyl}-3-oxopropyl)-2-methoxyphenolate | C22H27O11S

5-(3-{4-[(5,6-Dihydroxy-3-sulfohexyl)oxy]-2,6-dihydroxyphenyl}-3-oxopropyl)-2-methoxyphenolate

  • Molecular FormulaC22H27O11S
  • Average mass499.509 Da
  • Monoisotopic mass499.127960 Da
  • ChemSpider ID95703422

  • Charge - Charge

More details:

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

3-Hexanesulfonic acid, 1-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]phenoxy]-5,6-dihydroxy-, ion(1-) [ACD/Index Name]
5-(3-{4-[(5,6-Dihydroxy-3-sulfohexyl)oxy]-2,6-dihydroxyphenyl}-3-oxopropyl)-2-methoxyphenolat [German] [ACD/IUPAC Name]
5-(3-{4-[(5,6-Dihydroxy-3-sulfohexyl)oxy]-2,6-dihydroxyphenyl}-3-oxopropyl)-2-methoxyphenolate [ACD/IUPAC Name]
5-(3-{4-[(5,6-Dihydroxy-3-sulfohexyl)oxy]-2,6-dihydroxyphényl}-3-oxopropyl)-2-méthoxyphénolate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 202 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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