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

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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
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 Waiting for 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