beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxymorphinan-6-yl

Base Information

• Chemical Name: beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxymorphinan-6-yl
• CAS No.: 50444-03-6
• Molecular Formula: C23H27NO9
• Molecular Weight: 461.4618
• DSSTox Substance ID: DTXSID30964686
• Mol file: 50444-03-6.mol

Synonyms:Norcodeine Glucuronide;50444-03-6;Norcodeine 6-glucuronide;beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxymorphinan-6-yl;DTXSID30964686;3-Methoxy-7,8-didehydro-4,5-epoxymorphinan-6-yl hexopyranosiduronic acid

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Chemical Property of beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxymorphinan-6-yl

Chemical Property:

• Vapor Pressure: 5.46E-22mmHg at 25°C
• Boiling Point: 723.8°Cat760mmHg
• PKA: 2.79±0.70(Predicted)
• Flash Point: 391.5°C
• Density: 1.59g/cm³
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 461.16858144
• Heavy Atom Count: 33
• Complexity: 824

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O)C=C1
• Isomeric SMILES: COC1=C2C3=C(CC4C5C3(CCN4)[C@@H](O2)[C@H](C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C=C1
• Uses: Norcodeine O-β-D-Glucuronide is the glucuronide conjugate of Norcodeine (N661605) and metabolite of Codeine (C634080).