AC1NX90B

(3S)-4-[(2R,3R,4R,6R)-3-hydroxy-2-methyl-6-[[(1S,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-11-imino-10-methoxy-6-oxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile

Also Known As: 5-Iminocyanomorpholinoadriamycin|alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-12-iminoadriamycin|(8S-cis)-10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-5(8H)-naphthacenone|10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-5(8H)-naphthacenone (8S-cis)-|5(8H)-Naphthacenone, 10-((3-((R)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-, (8S-cis)-|(1S,3R)-11-Amino-3,6-dihydroxy-3-(hydroxyacetyl)-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 3-[(3S)-3-cyanomorpholin-4-yl]-2,3,6-trideoxy-beta-D-lyxo-hexopyranoside|(3S)-4-[(2R,3R,4R,6R)-6-[[(1S,3R)-11-amino-3,6-dihydroxy-3-(2-hydroxyacetyl)-10-methoxy-5,12-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile|11-Amino-3,6-dihydroxy-3-(hydroxyacetyl)-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxyhexopyranoside

Molecular Formula	C32H35N3O11
Molecular Weight	637.2272 g/mol
LogP	0.45215
Topological Polar Surface Area	223.09 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	6
Exact Mass	637.2272
Monoisotopic Mass	637.2272
Heavy Atoms	46
Complexity	1654.7574

Chemical Identifiers

CAS Number	89164-79-4
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=N)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOC[C@@H]6C#N)O