(Q83002837)

English

1-{5-[(2-Amino-1-hydroxyhexylidene)amino]-5-deoxyhexofuranuronosyl}-4-hydroxypyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₁₆H₂₄N₄O₈

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Statements

group of stereoisomers

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chemical compound

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400.15941372799995 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₄N₄O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCC(N)C(O)=NC(C(=O)O)C1OC(n2ccc(O)nc2=O)C(O)C1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC[C@H](N)C(=O)N[C@H](C(=O)O)C1O[C@@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C16H24N4O8/c1-2-3-4-7(17)13(24)19-9(15(25)26)12-10(22)11(23)14(28-12)20-6-5-8(21)18-16(20)27/h5-7,9-12,14,22-23H,2-4,17H2,1H3,(H,19,24)(H,25,26)(H,18,21,27)/t7-,9-,10-,11+,12?,14+/m0/s1

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MJLANALQVVJGQU-ZYUTXBQYSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

DTXSID701006975

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DSSTOX compound identifier

DTXCID101433839

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