ChemSpider 2D Image | 4-Nitrophenyl 3-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside | C18H25NO13

4-Nitrophenyl 3-O-α-D-glucopyranosyl-α-D-glucopyranoside

  • Molecular FormulaC18H25NO13
  • Average mass463.390 Da
  • Monoisotopic mass463.132599 Da
  • ChemSpider ID30783219

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

136632-95-6 [RN]
3-O-α-D-Glucopyranosyl-α-D-glucopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl 3-O-α-D-glucopyranosyl-α-D-glucopyranoside [ACD/IUPAC Name]
4-Nitrophenyl-3-O-α-D-glucopyranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, 4-nitrophenyl 3-O-α-D-glucopyranosyl- [ACD/Index Name]
4-Nitrophenyl 3-O-(a-D-glucopyranosyl)-a-D-glucopyranoside
4-Nitrophenyl 3-O-(α-D-glucopyranosyl)-α-D-glucopyranoside
4-Nitrophenyl 3-O-a-D-Glucopyranosyl-a-D-glucopyranoside
4-Nitrophenyl a-nigeroside
4-Nitrophenyl?-Nigeroside
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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: 814.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.1±3.0 kJ/mol
    Flash Point: 446.4±34.3 °C
    Index of Refraction: 1.671
    Molar Refractivity: 101.8±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 7
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: -2.09
    ACD/LogD (pH 5.5): -2.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.95
    ACD/LogD (pH 7.4): -2.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.95
    Polar Surface Area: 224 Å2
    Polarizability: 40.3±0.5 10-24cm3
    Surface Tension: 100.9±5.0 dyne/cm
    Molar Volume: 272.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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