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(Q90540160)
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English
3′-Thymidylic acid, mono(4-nitrophenyl) ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrimidine nucleotide
1 reference
based on heuristic
inferred from SMILES
mass
443.07298040599994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈N₃O₁₀P
0 references
canonical SMILES
Cc1cn(C2CC(O)C(COP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)nc1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)nc1O
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
0 references
Identifiers
InChI
InChI=1S/C16H18N3O10P/c1-9-7-18(16(22)17-15(9)21)14-6-12(20)13(28-14)8-27-30(25,26)29-11-4-2-10(3-5-11)19(23)24/h2-5,7,12-14,20H,6,8H2,1H3,(H,25,26)(H,17,21,22)/t12-,13+,14+/m0/s1
0 references
InChIKey
RWOAVOYBVRQNIZ-BFHYXJOUSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
16562-50-8
0 references
PubChem CID
164953
1 reference
matched by identifier from
InChIKey
InChIKey
RWOAVOYBVRQNIZ-BFHYXJOUSA-N
ChEBI ID
74144
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H18N3O10P/c1-9-7-18(16(22)17-15(9)21)14-6-12(20)13(28-14)8-27-30(25,26)29-11-4-2-10(3-5-11)19(23)24/h2-5,7,12-14,20H,6,8H2,1H3,(H,25,26)(H,17,21,22)/t12-,13+,14+/m0/s1
DSSTox substance ID
DTXSID10937116
1 reference
matched by identifier from
InChIKey
InChIKey
RWOAVOYBVRQNIZ-BFHYXJOUSA-N
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