ChemSpider 2D Image | 2-Hydroxy-3,5-bis(4-hydroxy-2-methyl-5-sulfobenzyl)-4-methylbenzenesulfonic acid | C23H24O12S3

2-Hydroxy-3,5-bis(4-hydroxy-2-methyl-5-sulfobenzyl)-4-methylbenzenesulfonic acid

  • Molecular FormulaC23H24O12S3
  • Average mass588.625 Da
  • Monoisotopic mass588.042969 Da
  • ChemSpider ID2312470

More details:

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

2-Hydroxy-3,5-bis(4-hydroxy-2-methyl-5-sulfobenzyl)-4-methylbenzenesulfonic acid [ACD/IUPAC Name]
2-Hydroxy-3,5-bis(4-hydroxy-2-methyl-5-sulfobenzyl)-4-methylbenzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 2-hydroxy-3,5-bis(4-hydroxy-2-méthyl-5-sulfobenzyl)-4-méthylbenzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methyl- [ACD/Index Name]
2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzene-1-sulfonic acid
2-hydroxy-5-[(2-hydroxy-6-methyl-3-sulfophenyl)methyl]-3-[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid
3,5-bis[(4-hydroxy-6-methyl-3-sulfophenyl)methyl]-2-hydroxy-4-methylbenzenesulfonic acid
924964-28-3 [RN]
MFCD00869035 [MDL number]
TL8000093

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

101418-00-2/9011-02-3 [DBID]
CCRIS 937 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.671
    Molar Refractivity: 134.9±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 6
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): -5.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 249 Å2
    Polarizability: 53.5±0.5 10-24cm3
    Surface Tension: 78.9±3.0 dyne/cm
    Molar Volume: 360.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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