ChemSpider 2D Image | (1R,2xi)-1,4-Anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-threo-pentitol | C9H12N2O5S

(1R,2ξ)-1,4-Anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-threo-pentitol

  • Molecular FormulaC9H12N2O5S
  • Average mass260.267 Da
  • Monoisotopic mass260.046692 Da
  • ChemSpider ID58784530

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,2ξ)-1,4-Anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-threo-pentitol [German] [ACD/IUPAC Name]
(1R,2ξ)-1,4-Anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-threo-pentitol [ACD/IUPAC Name]
(1R,2ξ)-1,4-Anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1-C-[4-(aminocarbonyl)-2-thiazolyl]-1,4-anhydro-, (1R,2ξ)- [ACD/Index Name]
2-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide
60084-10-8 [RN]
MFCD00866494 [MDL number]
Tiazofurin [Wiki]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 641.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.5±3.0 kJ/mol
    Flash Point: 341.6±31.5 °C
    Index of Refraction: 1.675
    Molar Refractivity: 59.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -1.13
    ACD/LogD (pH 5.5): -1.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.36
    ACD/LogD (pH 7.4): -1.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.36
    Polar Surface Area: 154 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 88.6±3.0 dyne/cm
    Molar Volume: 157.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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