(Q82896018)

English

1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-5-ethynyl-4-hydroxypyrimidin-2(1H)-one

chemical compound

In more languages

Statements

group of stereoisomers

0 references

pyrimidine nucleotide

1 reference

based on heuristic

inferred from SMILES

374.0515166899999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₃H₁₅N₂O₉P

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canonical SMILES

C#Cc1cn(C2CC(O)C(COP(=O)(O)CC(=O)O)O2)c(=O)[nH]c1=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O

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Identifiers

InChI=1S/C13H15N2O9P/c1-2-7-4-15(13(20)14-12(7)19)10-3-8(16)9(24-10)5-23-25(21,22)6-11(17)18/h1,4,8-10,16H,3,5-6H2,(H,17,18)(H,21,22)(H,14,19,20)/t8-,9+,10+/m0/s1

0 references

MSVGSFUOENBVNN-IVZWLZJFSA-N

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CAS Registry Number

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1 reference

matched by identifier from

MSVGSFUOENBVNN-IVZWLZJFSA-N

UniChem compound ID

1 reference

DSSTox substance ID

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DSSTOX compound identifier

DTXCID001351369

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