9,10-Anhydrodaunorubicin

(7S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-4-methoxy-7,8-dihydrotetracene-5,12-dione

Also Known As: 9,10-Anhydrodaunorubicin|Idarubicin impurities 7|Idarubicin Impurity 15|(7S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-4-methoxy-7,8-dihydrotetracene-5,12-dione|5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-9,10-dihydro-6,11-dihydroxy-1-methoxy-, (S)-|(1S)-3-Acetyl-5,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,6,11-tetrahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|(S)-9-acetyl-7-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,11-dihydroxy-4-methoxy-7,8-dihydrotetracene-5,12-dione|3-Acetyl-5,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,6,11-tetrahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside

Molecular Formula	C27H27NO9
Molecular Weight	509.16858 g/mol
LogP	2.7
Topological Polar Surface Area	166.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	509.16858
Monoisotopic Mass	509.16858
Heavy Atoms	37
Complexity	968.0

Chemical Identifiers

CAS Number	69804-36-0
SMILES	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC(=CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)C)N)O
InChIKey	CLNMMLRSPFRZKD-LWSDYBGYSA-N