(Q82957811)

English

4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₂₆H₂₈ClNO₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

565.1350883959998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₈ClNO₁₁

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)O)CC3OC1CC(N)C(O)C(C)O1.Cl

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)O)C[C@@H]3OC1CC(N)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H27NO11.ClH/c1-9-20(28)12(27)6-15(37-9)38-14-8-26(35,25(33)34)7-11-17(14)24(32)19-18(22(11)30)21(29)10-4-3-5-13(36-2)16(10)23(19)31;/h3-5,9,12,14-15,20,28,30,32,35H,6-8,27H2,1-2H3,(H,33,34);1H/t9?,12?,14-,15?,20?,26-;/m0./s1

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InChIKey

HUXYGCZFLAONTF-FZGDCAGASA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID001401201

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NSC number

235816

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(Q82957811)

4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid--hydrogen chloride (1/1)

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Identifiers

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