(Q82854178)

English

[(2R,3R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,4S,5S)-3,4,5-trihydroxy-6-[hydroxy(~13~C)methyl](~13~C_5_)oxan-2-yl dihydrogen diphosphate (non-preferred name)

group of stereoisomers with the chemical formula C₁₅H₂₄N₂O₁₇P₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

572.0751496079997 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₄N₂O₁₇P₂

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based on heuristic

inferred from SMILES

canonical SMILES

O=c1nc(O)ccn1C1OC(COP(=O)(O)OP(=O)(O)O[13CH]2O[13CH]([13CH2]O)[13CH](O)[13CH](O)[13CH]2O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[13C@H]2O[13CH]([13CH2]O)[13C@@H](O)[13C@H](O)[13CH]2O)[C@H](O)C1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5?,6-,8-,9+,10+,11?,12?,13-,14-/m1/s1/i3+1,5+1,8+1,10+1,12+1,14+1

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InChIKey

HSCJRCZFDFQWRP-LKYYKRFTSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID80809295

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(Q82854178)

[(2R,3R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,4S,5S)-3,4,5-trihydroxy-6-[hydroxy(~13~C)methyl](~13~C_5_)oxan-2-yl dihydrogen diphosphate (non-preferred name)

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Identifiers

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