Morpholinodoxorubicin

(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-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

Also Known As: Morpholinyl doxorubicin|Morpholinodoxorubicin|morpholino-ADR|morpholino-adriamycin|morpholinyldoxorubicin|3'-Deamino-3'-morpholino-adriamycin|3'-Morpholino-3'-deaminodaunorubicin|KST-1A8570|3'-Deamino-3'-(4-morpholinyl)daunorubicin|3'-deamino-3'-(4-morpholinyl)adriamycin|3'-deamono-3'-(4''-morpholinyl)doxorubicin|3 -Deamino-3 -(4-morpholinyl)adriamycin|3 -Deamino-3 -(4-morpholinyl)doxorubicin|(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-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|(1s,3s)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-yl-|A-l-lyxo-hexopyranoside|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-morpholino-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-|(1S,3S)-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(morpholin-4-yl)-alpha-L-lyxo-hexopyranoside|(8S,10S)-6,8,11-trihydroxy-10-{[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(morpholin-4-yl)oxan-2-yl]oxy}-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione|(8S,10S)-7,8,9,10-Tetrahydro-6,8alpha,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10alpha-[[2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione|3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside|5,12-Naphthacenedione, 7, 8, 9, 10-tetrahydro-6, 8, 11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2, 3, 6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl) oxy)-, hydrochloride, (8S-cis)-|MRA

Molecular Formula	C31H35NO12
Molecular Weight	613.21594 g/mol
LogP	0.37
Topological Polar Surface Area	192.52 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	6
Exact Mass	613.21594
Heavy Atoms	44
Complexity	1517.7

Chemical Identifiers

CAS Number	80790-68-7
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)CO)O)N6CCOCC6)O