L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester

Base Information

• Chemical Name: L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester
• CAS No.: 184031-35-4
• Molecular Formula: C26H26Br2N3O8P
• Molecular Weight: 699.2817
• DSSTox Substance ID: DTXSID20939787

Synonyms:184031-35-4;L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester;L-Alanine, N-[2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl]-, phenylmethyl ester;DTXSID20939787;benzyl (2S)-2-[[(2,4-dibromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate;Benzyl N-[(2,4-dibromophenoxy){[5-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methoxy}phosphoryl]alaninate

Chemical Property of L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.602g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 698.98038
• Heavy Atom Count: 40
• Complexity: 1050

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(NC(C)C(=O)OCC3=CC=CC=C3)OC4=C(C=C(C=C4)Br)Br
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OCC3=CC=CC=C3)OC4=C(C=C(C=C4)Br)Br

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