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(Q83082266)
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English
alpha-D-Glucopyranose, 6-(3-nitropropanoate)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
281.07468106000005
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
6-O-(3-Nitropropanoyl)hexopyranose
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₉H₁₅NO₉
0 references
canonical SMILES
O=C(CC[N+](=O)[O-])OCC1OC(O)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C9H15NO9/c11-5(1-2-10(16)17)18-3-4-6(12)7(13)8(14)9(15)19-4/h4,6-9,12-15H,1-3H2/t4-,6-,7+,8-,9+/m1/s1
0 references
InChIKey
PZXVGMNFZWTQGO-GXHGQEQLSA-N
0 references
CAS Registry Number
59440-99-2
0 references
PubChem CID
6453815
1 reference
matched by identifier from
InChIKey
InChIKey
PZXVGMNFZWTQGO-GXHGQEQLSA-N
UniChem compound ID
58484560
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20208162
1 reference
matched by identifier from
InChIKey
InChIKey
PZXVGMNFZWTQGO-GXHGQEQLSA-N
DSSTOX compound identifier
DTXCID40130653
0 references
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