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(Q83005187)
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English
1-{5-O-[(3-Carboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
409.0886304699999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₀N₃O₁₀P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N=c1ccn(C2OC(COP(=O)(O)OCCCC(=O)O)C(O)C2O)c(O)n1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N=c1ccn(C2O[C@H](COP(=O)(O)OCCCC(=O)O)[C@@H](O)[C@@H]2O)c(O)n1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H20N3O10P/c14-8-3-4-16(13(21)15-8)12-11(20)10(19)7(26-12)6-25-27(22,23)24-5-1-2-9(17)18/h3-4,7,10-12,19-20H,1-2,5-6H2,(H,17,18)(H,22,23)(H2,14,15,21)/t7-,10-,11+,12?/m1/s1
0 references
InChIKey
VDDNHRUWCIDRKL-FBWFMTOQSA-N
0 references
CAS Registry Number
89142-98-3
0 references
PubChem CID
84074
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
63740786
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201008669
0 references
DSSTOX compound identifier
DTXCID701435502
0 references
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