(Q82986261)

English

1-{2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

641.9219241579999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₀H₁₉N₂O₂₀P₅

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canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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Identifiers

InChI

InChI=1S/C10H19N2O20P5/c1-5-3-12(10(14)11-9(5)13)8-2-6(29-36(23,24)30-33(15,16)17)7(28-8)4-27-35(21,22)32-37(25,26)31-34(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1

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InChIKey

USELZJUBXJZGGJ-XLPZGREQSA-N

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1 reference

matched by identifier from

InChIKey

USELZJUBXJZGGJ-XLPZGREQSA-N

1 reference

1 reference

matched by identifier from

InChIKey

USELZJUBXJZGGJ-XLPZGREQSA-N

DSSTOX compound identifier

DTXCID501422094

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(Q82986261)

1-{2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one

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