AC1L4HY3 structure

AC1L4HY3

(7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrobromide

Also Known As: 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrobromide, (8S-cis)-|(7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrobromide

CAS: 79898-07-0
Molecular Formula C31H36BrNO11
Molecular Weight 677.14716 g/mol
LogP 1.9803
Topological Polar Surface Area 172.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 12
Rotatable Bonds 5
Exact Mass 677.14716
Monoisotopic Mass 677.14716
Heavy Atoms 44
Complexity 1080.0

Chemical Identifiers

CAS Number 79898-07-0
SMILES C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N6CCOCC6)O.Br
InChIKey VIXOLOLAVBOIIP-SMYDXQIFSA-N

Product Overview

AC1L4HY3 (CAS 79898-07-0), with molecular formula C31H36BrNO11 and molecular weight 677.14716 g/mol. IUPAC: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrobromide.

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