ChemSpider 2D Image | 2-Nitrophenyl (5xi)-1-thio-alpha-L-lyxo-hexopyranoside | C12H15NO7S

2-Nitrophenyl (5ξ)-1-thio-α-L-lyxo-hexopyranoside

  • Molecular FormulaC12H15NO7S
  • Average mass317.315 Da
  • Monoisotopic mass317.056915 Da
  • ChemSpider ID32696518

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ)-1-Thio-α-L-lyxo-hexopyranoside de 2-nitrophényle [French] [ACD/IUPAC Name]
2-Nitrophenyl (5ξ)-1-thio-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
2-Nitrophenyl-(5ξ)-1-thio-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
α-L-lyxo-Hexopyranoside, 2-nitrophenyl 1-thio-, (5ξ)- [ACD/Index Name]
1158-17-4 [RN]
214-593-0 [EINECS]
2-Nitrophenyl-1-thio-β-D-galactopyranoside
MFCD00076099 [MDL number]
O-NITROPHENYL-1-THIO-β-D-GALACTOPYRANOSIDE
ONP-1-thio-β-D-Gal

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 572.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.2±3.0 kJ/mol
    Flash Point: 299.8±30.1 °C
    Index of Refraction: 1.689
    Molar Refractivity: 74.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.63
    ACD/LogD (pH 5.5): -0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.98
    ACD/LogD (pH 7.4): -0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.98
    Polar Surface Area: 161 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 91.6±5.0 dyne/cm
    Molar Volume: 194.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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