(Q82991201)

English

3,5,12-Trihydroxy-3-(hydroxyacetyl)-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₂₇H₃₁ClN₂O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

578.1667228719998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₁ClN₂O₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C27H30N2O10.ClH/c1-10-23(32)13(28)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)20-21(25(12)34)24(33)11-4-3-5-14(37-2)18(11)22(20)29;/h3-5,10,13,15,17,23,29-30,32,34-36H,6-9,28H2,1-2H3;1H/t10?,13?,15-,17?,23?,27-;/m0./s1

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InChIKey

KHCRLBOOAMTXBC-VGLLGZRMSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID701425551

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NSC number

332988

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(Q82991201)

3,5,12-Trihydroxy-3-(hydroxyacetyl)-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)

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