(Q83154393)

English

sodium;[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

pyrimidine nucleotide

1 reference

based on heuristic

inferred from SMILES

mass

648.0845837039999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₇N₄NaO₁₅P₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

Cc1cn(C2CC(O)C(COP(=O)(O)OC3CC(n4cc(C)c(O)nc4=O)OC3COP(=O)(O)O)O2)c(=O)nc1[O-].[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3COP(=O)(O)O)O2)c(=O)nc1[O-].[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C20H28N4O15P2.Na/c1-9-5-23(19(28)21-17(9)26)15-3-11(25)13(37-15)7-36-41(33,34)39-12-4-16(38-14(12)8-35-40(30,31)32)24-6-10(2)18(27)22-20(24)29;/h5-6,11-16,25H,3-4,7-8H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32);/q;+1/p-1/t11-,12-,13+,14+,15+,16+;/m0./s1

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InChIKey

DHARCCXVEUOMEO-JQQQFMHGSA-M

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1 reference

26 April 2024

inferred from InChIKey

2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

DHARCCXVEUOMEO-JQQQFMHGSA-M

DSSTox substance ID

DTXSID00635735

1 reference

matched by identifier from

InChIKey

DHARCCXVEUOMEO-JQQQFMHGSA-M

DSSTOX compound identifier

DTXCID10586486

0 references

(Q83154393)

sodium;[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

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