2-Oxo-5alpha-[(S)-hydroxy(2,2-dimethyl-1,3-dioxolane-4beta-yl)methyl]-3-pyrroline-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 2-Oxo-5alpha-[(S)-hydroxy(2,2-dimethyl-1,3-dioxolane-4beta-yl)methyl]-3-pyrroline-1-carboxylic acid tert-butyl ester
• CAS No.: 141293-15-4
• Molecular Formula: C15H23NO6
• Molecular Weight: 313.351
• DSSTox Substance ID: DTXSID901104024
• Nikkaji Number: J478.835D
• Mol file: 141293-15-4.mol

Synonyms:DTXSID901104024;1,1-Dimethylethyl (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hydroxymethyl]-2,5-dihydro-5-oxo-1H-pyrrole-1-carboxylate;141293-15-4;2-Oxo-5alpha-[(S)-hydroxy(2,2-dimethyl-1,3-dioxolane-4beta-yl)methyl]-3-pyrroline-1-carboxylic acid tert-butyl ester

Chemical Property of 2-Oxo-5alpha-[(S)-hydroxy(2,2-dimethyl-1,3-dioxolane-4beta-yl)methyl]-3-pyrroline-1-carboxylic acid tert-butyl ester

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 313.15253745
• Heavy Atom Count: 22
• Complexity: 493

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC1(OCC(O1)C(C2C=CC(=O)N2C(=O)OC(C)(C)C)O)C
• Isomeric SMILES: CC1(OC[C@@H](O1)[C@H]([C@H]2C=CC(=O)N2C(=O)OC(C)(C)C)O)C

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