ChemSpider 2D Image | 4-Nitrophenyl 2-O-(6-deoxy-beta-L-galactopyranosyl)-beta-D-galactopyranoside | C18H25NO12

4-Nitrophenyl 2-O-(6-deoxy-β-L-galactopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC18H25NO12
  • Average mass447.391 Da
  • Monoisotopic mass447.137665 Da
  • ChemSpider ID30783210

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3S,4R,5S,6S)-2-(((2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
2-O-(6-Désoxy-β-L-galactopyranosyl)-β-D-galactopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl 2-O-(6-deoxy-β-L-galactopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
4-Nitrophenyl-2-O-(6-desoxy-β-L-galactopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
77640-21-2 [RN]
β-D-Galactopyranoside, 4-nitrophenyl 2-O-(6-deoxy-β-L-galactopyranosyl)- [ACD/Index Name]
[77640-21-2] [RN]
4-?nitrophenyl 2-?O-?(6-?deoxy-??-?L-?galactopyranosyl)?-?-?D-?Galactopyranoside
4-Nitrophenyl 2-O-(b-L-fucopyranosyl)-b-D-galactopyranoside
4-Nitrophenyl 2-O-(β-L-fucopyranosyl)-β-D-galactopyranoside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 740.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.4±3.0 kJ/mol
    Flash Point: 401.7±32.9 °C
    Index of Refraction: 1.649
    Molar Refractivity: 100.2±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 6
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): -0.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.65
    ACD/LogD (pH 7.4): -0.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 21.65
    Polar Surface Area: 204 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 89.5±5.0 dyne/cm
    Molar Volume: 274.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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