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(Q82978873)
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English
N-{Hydroxy[methyl(nitroso)amino]methylidene}-2,3-O-(1-methylethylidene)-5-O-(4-nitrobenzoyl)pentofuranosylamine
group of stereoisomers with the chemical formula C₁₇H₂₀N₄O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
424.1230282199999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₀N₄O₉
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN(N=O)C(O)=NC1OC(COC(=O)c2ccc([N+](=O)[O-])cc2)C2OC(C)(C)OC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN(N=O)C(=O)NC1O[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C2OC(C)(C)OC12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H20N4O9/c1-17(2)29-12-11(28-14(13(12)30-17)18-16(23)20(3)19-24)8-27-15(22)9-4-6-10(7-5-9)21(25)26/h4-7,11-14H,8H2,1-3H3,(H,18,23)/t11-,12?,13?,14?/m1/s1
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InChIKey
IUISBWYEEASLMJ-NTXGFPLRSA-N
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CAS Registry Number
69584-54-9
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PubChem CID
3053200
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45529518
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20989661
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DSSTOX compound identifier
DTXCID601416779
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