3-Pentenoic acid, 2-amino-4-methyl-5-phosphono-, (2R,3E)-

Base Information

• Chemical Name: 3-Pentenoic acid, 2-amino-4-methyl-5-phosphono-, (2R,3E)-
• CAS No.: 116049-53-7
• Molecular Formula: C6H12 N O5 P
• UNII: N6DQ6GSX9G
• DSSTox Substance ID: DTXSID901214124
• Nikkaji Number: J340.696B
• Wikipedia: CGP-37849
• Wikidata: Q5010980
• ChEMBL ID: CHEMBL189477
• Mol file: 116049-53-7.mol

Synonyms:2-amino-4-methyl-5-phosphono-3-pentenoic acid;2-amino-4-methyl-5-phosphono-3-pentenoic acid, (E)-isomer;2-amino-4-methyl-5-phosphono-3-pentenoic acid, E(+-)-isomer;2-amino-4-methyl-5-phosphono-3-pentenoic acid, R-(E)-isomer;2-amino-4-methyl-5-phosphono-3-pentenoic acid, S-(E)-isomer;4-methyl-APPA;CGP 37849;CGP 40017;CGP 40116;CGP-37849;CGP-40017;CGP-40116;CGP40.116

Chemical Property of 3-Pentenoic acid, 2-amino-4-methyl-5-phosphono-, (2R,3E)-

Chemical Property:

• XLogP3: -4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 209.04530948
• Heavy Atom Count: 13
• Complexity: 268

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(C(=O)O)N)CP(=O)(O)O
• Isomeric SMILES: C/C(=C\[C@H](C(=O)O)N)/CP(=O)(O)O

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