ChemSpider 2D Image | N-Acetylserotonin b-D-glucuronide | C18H22N2O8

N-Acetylserotonin b-D-glucuronide

  • Molecular FormulaC18H22N2O8
  • Average mass394.376 Da
  • Monoisotopic mass394.137604 Da
  • ChemSpider ID32696806

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

18430-06-3 [RN]
3-(2-Acetamidoethyl)-1H-indol-5-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
3-(2-Acetamidoethyl)-1H-indol-5-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acetamide, N-[2-[5-(β-D-glucopyranuronosyloxy)-1H-indol-3-yl]ethyl]- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 3-(2-acétamidoéthyl)-1H-indol-5-yle [French] [ACD/IUPAC Name]
N-Acetylserotonin b-D-glucuronide
3-(2-Acetamidoethyl)-1H-indol-5-yl(5?)-?-D-lyxo-hexopyranosiduronic acid
MFCD09839860
N-ACETYL SEROTONIN B-D-GLUCURONIDE
N-Acetyl Serotonin β-D-Glucuronide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 818.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.8±3.0 kJ/mol
    Flash Point: 449.1±34.3 °C
    Index of Refraction: 1.684
    Molar Refractivity: 96.6±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: -2.00
    ACD/LogD (pH 5.5): -3.94
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.83
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 161 Å2
    Polarizability: 38.3±0.5 10-24cm3
    Surface Tension: 86.8±3.0 dyne/cm
    Molar Volume: 254.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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