(Q76009723)

English

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

549.1108224579998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₈H₂₄N₅O₁₃P

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canonical SMILES

Nc1ccn(C2OC(CO)C(OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C2O)c(=O)n1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O

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Identifiers

InChI

InChI=1S/C18H24N5O13P/c19-9-1-3-22(17(29)20-9)16-13(28)14(7(5-24)34-16)36-37(31,32)33-6-8-11(26)12(27)15(35-8)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,32)(H2,19,20,29)(H,21,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1

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InChIKey

VSIFECIDUDPNRC-NCOIDOBVSA-N

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CAS Registry Number

2382-64-1

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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mapping relation type

exact match

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stated in

ChEBI release 2022-06-13

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(Q76009723)

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

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