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PUBCHEM_16219131
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
480.9688620179998
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₁₄N₃O₁₄P₃
0 references
canonical SMILES
Nc1ccn(C(C=O)OC(C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)c(=O)n1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CN(C(=O)N=C1N)[C@@H](C=O)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O
0 references
Identifiers
InChI
InChI=1S/C9H14N3O14P3/c10-7-1-2-12(9(15)11-7)8(4-14)24-6(3-13)5-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-4,6,8H,5H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t6-,8+/m0/s1
0 references
InChIKey
PAUXEDHSTJAGST-POYBYMJQSA-N
0 references
CAS Registry Number
75567-73-6
0 references
PubChem CID
16219131
1 reference
matched by identifier from
InChIKey
InChIKey
PAUXEDHSTJAGST-POYBYMJQSA-N
UniChem compound ID
58898107
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20585102
1 reference
matched by identifier from
InChIKey
InChIKey
PAUXEDHSTJAGST-POYBYMJQSA-N
DSSTOX compound identifier
DTXCID00535867
0 references
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