ChemSpider 2D Image | (2R,4R)-2-[(1S,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid | C8H15NO6S

(2R,4R)-2-[(1S,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC8H15NO6S
  • Average mass253.273 Da
  • Monoisotopic mass253.062012 Da
  • ChemSpider ID29788444

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,4R)-2-[(1S,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,4R)-2-[(1S,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[(1S,2R,3S)-1,2,3,4-tetrahydroxybutyl]-, (2R,4R)- [ACD/Index Name]
Acide (2R,4R)-2-[(1S,2R,3S)-1,2,3,4-tétrahydroxybutyl]-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(2R,4R)-2[1S,2R,3S]-1,2,3,4-Tetrahydroxybutyl-1,-thiazolidine-4-carboxylic acid
(2R,4R)-2-[L-Xylo-tetrahydroxybut-1-yl]-1,3-thiazolidine-4-carboxylic acid
(4R)-2-[(1S,2R,3S)-1,2,3,4-Tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
115184-30-0 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 654.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.4±6.0 kJ/mol
    Flash Point: 349.5±31.5 °C
    Index of Refraction: 1.638
    Molar Refractivity: 56.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -1.73
    ACD/LogD (pH 5.5): -4.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 156 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 91.1±3.0 dyne/cm
    Molar Volume: 155.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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