(Q82899458)

English

[10,10-Dihydroxy-2,6-diimino-9,9-bis(sulfooxy)octahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl hydrogen carbonimidate

group of stereoisomers with the chemical formula C₁₀H₁₇N₇O₁₂S₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

491.0376609839998 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₇N₇O₁₂S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

N=C1NC2C(COC(=N)O)NC(=N)N3CC(OS(=O)(=O)O)(OS(=O)(=O)O)C(O)(O)C23N1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CC(OS(=O)(=O)O)(OS(=O)(=O)O)C(O)(O)C23N1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C10H17N7O12S2/c11-5-15-4-3(1-27-7(13)18)14-6(12)17-2-8(28-30(21,22)23,29-31(24,25)26)10(19,20)9(4,17)16-5/h3-4,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)(H,24,25,26)/t3-,4-,9?/m0/s1

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InChIKey

BLVHVLVATWRIQR-RQGHCTOOSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID001354018

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(Q82899458)

[10,10-Dihydroxy-2,6-diimino-9,9-bis(sulfooxy)octahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl hydrogen carbonimidate

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Identifiers

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