ChemSpider 2D Image | (5xi)-N-[(4-Aminophenyl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)-beta-D-lyxo-hexopyranuronosylamine | C16H19N3O9S

(5ξ)-N-[(4-Aminophenyl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)-β-D-lyxo-hexopyranuronosylamine

  • Molecular FormulaC16H19N3O9S
  • Average mass429.402 Da
  • Monoisotopic mass429.084198 Da
  • ChemSpider ID23977023

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ)-N-[(4-Aminophenyl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)-β-D-lyxo-hexopyranuronosylamin [German] [ACD/IUPAC Name]
(5ξ)-N-[(4-Aminophenyl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)-β-D-lyxo-hexopyranuronosylamine [ACD/IUPAC Name]
(5ξ)-N-[(4-Aminophényl)sulfonyl]-N-(5-méthyl-1,2-oxazol-3-yl)-β-D-lyxo-hexopyranuronosylamine [French] [ACD/IUPAC Name]
β-D-lyxo-Hexopyranuronosylamine, N-[(4-aminophenyl)sulfonyl]-N-(5-methyl-3-isoxazolyl)-, (5ξ)- [ACD/Index Name]
(3S,4S,5S,6R)-6-[(4-Aminophenyl)sulfonyl-(5-methylisoxazol-3-yl)amino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
1-[[(4-Am inophenyl)sulfonyl](5-methyl-3-isoxazolyl)amino]-1-deoxy-?-D-glucopyranuronic acid
14365-45-8 [RN]
14365-52-7 [RN]
MFCD15145100 [MDL number]
Sulfamethoxazole [INN] [JAN] [USAN] [Wiki]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 798.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 121.7±3.0 kJ/mol
    Flash Point: 436.5±35.7 °C
    Index of Refraction: 1.703
    Molar Refractivity: 96.3±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 0.56
    ACD/LogD (pH 5.5): -3.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 205 Å2
    Polarizability: 38.2±0.5 10-24cm3
    Surface Tension: 104.8±3.0 dyne/cm
    Molar Volume: 248.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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