2alpha-[(Benzyloxycarbonyl)amino]-5alpha-hydroxy-3-cyclohexene-1alpha-carboxylic acid methyl ester

Base Information

• Chemical Name: 2alpha-[(Benzyloxycarbonyl)amino]-5alpha-hydroxy-3-cyclohexene-1alpha-carboxylic acid methyl ester
• CAS No.: 290838-43-6
• Molecular Formula: C16H19NO5
• Molecular Weight: 305.331
• DSSTox Substance ID: DTXSID401121996
• Nikkaji Number: J1.420.240D

Synonyms:SCHEMBL14468658;DTXSID401121996;Methyl (1S,2R,5R)-5-hydroxy-2-[[(phenylmethoxy)carbonyl]amino]-3-cyclohexene-1-carboxylate;290838-43-6;2alpha-[(Benzyloxycarbonyl)amino]-5alpha-hydroxy-3-cyclohexene-1alpha-carboxylic acid methyl ester

Chemical Property of 2alpha-[(Benzyloxycarbonyl)amino]-5alpha-hydroxy-3-cyclohexene-1alpha-carboxylic acid methyl ester

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 305.12632271
• Heavy Atom Count: 22
• Complexity: 417

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CC(C=CC1NC(=O)OCC2=CC=CC=C2)O
• Isomeric SMILES: COC(=O)[C@H]1C[C@H](C=C[C@H]1NC(=O)OCC2=CC=CC=C2)O

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