Epirubicinol

(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: Epirubicinol|Epidoxorubicinol|4'-Epiadriamycinol|13-Dihydrodoxorubicin|4 -epi-Doxorubicinol|(Mixture of Diastereomers)|13-Dihydro-4'-epidoxorubicin|Epirubicinol(Mixture of Diastereomers)|KST-1A8306|Epirubicinol (Mixture of Diastereomers)|Epirubicinol, 60% (Contains Unknown Salts)|(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|(1s,3s)-3-[(1s)-1,2-dihydroxyethyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-|A-l-arabino-hexopyranoside|(7S,9S)-7-[(2S,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|(8S)-10alpha-[(3-Amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy]-8-[(S)-1,2-dihydroxyethyl]-6,8alpha,11-trihydroxy-7,8,9,10-tetrahydro-1-methoxy-5,12-naphthacenedione|(8S,10S)-10-{[(2R,4S,5R,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-8-[(1S)-1,2-DIHYDROXYETHYL]-6,8,11-TRIHYDROXY-1-METHOXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE|10-[(3-Amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-(8S,10S)-5,12-naphthacenedione|5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)OXY)-8-((1S)-1,2-DIHYDROXYETHYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8S,10S)-|5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-|5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, [8S-[8a,8(R*),10a]]-; (8S,10S)-10-[(3-Amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; 4'-Epiadriamycinol; Epidoxorubicinol; Epirubicinol

Molecular Formula	C27H31NO11
Molecular Weight	545.1897 g/mol
LogP	1.3
Topological Polar Surface Area	209.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	545.1897
Monoisotopic Mass	545.1897
Heavy Atoms	39
Complexity	935.0

Chemical Identifiers

CAS Number	80206-32-2
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@H](CO)O)O)N)O
InChIKey	NKZRZOVSJNSBFR-QXAZHNFISA-N