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(Q82125849)
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(1S,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
2-Amino-1-(4-nitrophenyl)-1,3-propanediol
1 reference
based on heuristic
inferred from InChIKey
mass
212.079706864
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
AC1LDRM0
1 reference
based on heuristic
inferred from InChIKey
(R,R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol
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based on heuristic
inferred from InChI
chemical formula
C₉H₁₂N₂O₄
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canonical SMILES
NC(CO)C(O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC(=CC=C1[C@@H]([C@@H](CO)N)O)[N+](=O)[O-]
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Identifiers
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
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InChIKey
OCYJXSUPZMNXEN-BDAKNGLRSA-N
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CAS Registry Number
71115-69-0
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PubChem CID
673659
1 reference
matched by identifier from
InChIKey
InChIKey
OCYJXSUPZMNXEN-BDAKNGLRSA-N
UniChem compound ID
21678206
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40350091
1 reference
matched by identifier from
InChIKey
InChIKey
OCYJXSUPZMNXEN-BDAKNGLRSA-N
DSSTOX compound identifier
DTXCID60301161
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