CHEBI:78660 - (R,R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (R,R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol ChEBI ID CHEBI:78660 ChEBI ASCII Name (R,R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol Definition A diol that is propane 1,3-diol bearing additional amino and 4-nitrophenyl substituents at positions 2 and 1 respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H12N2O4 Net Charge 0 Average Mass 212.20260 Monoisotopic Mass 212.07971 InChI InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1 InChIKey OCYJXSUPZMNXEN-RKDXNWHRSA-N SMILES N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (R,R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CHEBI:78660) is a C-nitro compound (CHEBI:35716) (R,R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CHEBI:78660) is a amino alcohol (CHEBI:22478) (R,R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CHEBI:78660) is a diol (CHEBI:23824) IUPAC Name (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol Synonyms Sources Chloramphenicol base ChemIDplus D-threo-(-)-2-Amino-1-(p-nitrophenyl)-1,3-propanediol ChemIDplus Levoamine ChemIDplus Registry Numbers Types Sources 2811191 Reaxys Registry Number Reaxys 716-61-0 CAS Registry Number ChemIDplus Citations Types Sources 13431301 PubMed citation Europe PMC 14068732 PubMed citation Europe PMC 23157306 PubMed citation Europe PMC 3750804 PubMed citation Europe PMC 5142826 PubMed citation Europe PMC Last Modified 30 May 2014