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(Q82885107)
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English
9-[5-O-(2-Oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl)pentofuranosyl]-9H-purin-6-amine
group of stereoisomers with the chemical formula C₁₃H₁₉N₆O₆P
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
386.1103689579999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₉N₆O₆P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Nc1ncnc2c1ncn2C1OC(COP2(=O)NCCCO2)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Nc1ncnc2c1ncn2C1O[C@H](COP2(=O)NCCCO2)[C@@H](O)[C@@H]1O
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C13H19N6O6P/c14-11-8-12(16-5-15-11)19(6-17-8)13-10(21)9(20)7(25-13)4-24-26(22)18-2-1-3-23-26/h5-7,9-10,13,20-21H,1-4H2,(H,18,22)(H2,14,15,16)/t7-,9-,10+,13?,26?/m1/s1
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InChIKey
FWPLWRROPGYURV-WAPIVZEPSA-N
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CAS Registry Number
96790-49-7
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PubChem CID
126056
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
317983
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50914320
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DSSTOX compound identifier
DTXCID301343313
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