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3-Nitrophenyl hexopyranoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
301.07976644
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
3-Nitrophenyl alpha-D-galactopyranoside
1 reference
based on heuristic
inferred from InChIKey
Metanitrophenyl-Alpha-D-Galactoside
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₅NO₈
0 references
canonical SMILES
O=[N+]([O-])c1cccc(OC2OC(CO)C(O)C(O)C2O)c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
0 references
InChIKey
VCCMGHVCRFMITI-RMPHRYRLSA-N
0 references
CAS Registry Number
20838-44-2
1 reference
InChIKey
VCCMGHVCRFMITI-RMPHRYRLSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=20838-44-2
PubChem CID
88711
1 reference
matched by identifier from
InChIKey
InChIKey
VCCMGHVCRFMITI-RMPHRYRLSA-N
UniChem compound ID
6026584
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30943077
1 reference
matched by identifier from
InChIKey
InChIKey
VCCMGHVCRFMITI-RMPHRYRLSA-N
DSSTOX compound identifier
DTXCID701371455
0 references
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