ChemSpider 2D Image | 6-(2,3-Dimethyl-5-sulfo-3H-indol-3-yl)hexanoic acid | C16H21NO5S

6-(2,3-Dimethyl-5-sulfo-3H-indol-3-yl)hexanoic acid

  • Molecular FormulaC16H21NO5S
  • Average mass339.407 Da
  • Monoisotopic mass339.114044 Da
  • ChemSpider ID25948569

More details:

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

3H-Indole-3-hexanoic acid, 2,3-dimethyl-5-sulfo- [ACD/Index Name]
407627-51-4 [RN]
6-(2,3-Dimethyl-5-sulfo-3H-indol-3-yl)hexanoic acid [ACD/IUPAC Name]
6-(2,3-Dimethyl-5-sulfo-3H-indol-3-yl)hexansäure [German] [ACD/IUPAC Name]
Acide 6-(2,3-diméthyl-5-sulfo-3H-indol-3-yl)hexanoïque [French] [ACD/IUPAC Name]
2,3-dimethyl-5-sulfo-3H-Indole-3-hexanoic acid
3-(5-CARBOXYPENTYL)-2,3-DIMETHYL-5-SULFOINDOLIUM INNER SALT
6-(2,3-DIMETHYL-5-SULFOINDOL-3-YL)HEXANOIC ACID
MFCD12923310

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.600
    Molar Refractivity: 86.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.58
    ACD/LogD (pH 5.5): -2.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 34.4±0.5 10-24cm3
    Surface Tension: 51.7±7.0 dyne/cm
    Molar Volume: 253.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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