Found 1 result

Search term: KVOGNGMWSRNULU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5alpha,6alpha)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl 4-deoxyhex-4-enopyranosiduronic acid | C23H25NO8

(5α,6α)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl 4-deoxyhex-4-enopyranosiduronic acid

  • Molecular FormulaC23H25NO8
  • Average mass443.447 Da
  • Monoisotopic mass443.158020 Da
  • ChemSpider ID23117598

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(5α,6α)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl 4-deoxyhex-4-enopyranosiduronic acid [ACD/IUPAC Name]
(5α,6α)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl-4-desoxyhex-4-enopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 4-désoxyhex-4-énopyranosiduronique de (5α,6α)-3-hydroxy-17-méthyl-7,8-didéhydro-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
Hex-4-enopyranosiduronic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-yl 4-deoxy- [ACD/Index Name]
3,4-dihydroxy-2-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-yloxy]-3,4-dihydro-2H-6-pyrancarboxylic acid
CHEMBL19396

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

Density: 1.6±0.1 g/cm3
Boiling Point: 697.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.8±31.5 °C
Index of Refraction: 1.734
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 90.3±5.0 dyne/cm
Molar Volume: 274.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement