(Q82996785)

English

11-Amino-3,6-dihydroxy-3-(1-hydroxyethyl)-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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528.2107806039999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂N₂O₉

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COc1cccc2c(O)c3c(c(N)c12)C(=O)C1=C(CC(O)(C(C)O)CC1OC1CC(N)C(O)C(C)O1)C3=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cccc2c(O)c3c(c(N)c12)C(=O)C1=C(CC(O)(C(C)O)CC1O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)C3=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C27H32N2O9/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29/h4-6,10-11,14,16-17,23,30-32,35H,7-9,28-29H2,1-3H3/t10-,11?,14-,16?,17-,23+,27?/m0/s1

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RHSFPYBBUVAKPB-NKQWUHHFSA-N

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CAS Registry Number

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DSSTox substance ID

DTXSID301002583

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DSSTOX compound identifier

DTXCID801429518

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