ChemSpider 2D Image | (5alpha)-17-(Cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl beta-D-glucopyranosiduronic acid | C26H31NO10

(5α)-17-(Cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC26H31NO10
  • Average mass517.525 Da
  • Monoisotopic mass517.194824 Da
  • ChemSpider ID32696965

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5α)-17-(Cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5α)-17-(Cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (5α)-17-(cyclopropylméthyl)-14-hydroxy-6-oxo-4,5-époxymorphinane-3-yle [French] [ACD/IUPAC Name]
Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3-(β-D-glucopyranuronosyloxy)-14-hydroxy-, (5α)- [ACD/Index Name]
(5?)-17-(Cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl(5?)-?-D-lyxo-hexopyranosiduronic acid
76630-71-2 [RN]
Naltrexone 3-O-b-D-glucuronide
NALTREXONE-3-GLUCURONIDE
NALTREXONE-D4-3-GLUCURONIDE

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 807.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 123.1±3.0 kJ/mol
    Flash Point: 442.3±34.3 °C
    Index of Refraction: 1.724
    Molar Refractivity: 123.9±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 5
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: -0.66
    ACD/LogD (pH 5.5): -3.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 166 Å2
    Polarizability: 49.1±0.5 10-24cm3
    Surface Tension: 97.5±5.0 dyne/cm
    Molar Volume: 312.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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