7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone

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

Also Known As: 3',4'-epi-Daunomycin|Cid 151588|7-O-(3-Amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone|(7S,9R)-9-acetyl-7-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,10-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|(1S,3R)-3-Acetyl-3,4,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranoside|(8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione|(8S-cis)-8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)oxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione|3-Acetyl-3,4,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside

Molecular Formula	C27H29NO10
Molecular Weight	527.17914 g/mol
LogP	1.1
Topological Polar Surface Area	186.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	527.17914
Monoisotopic Mass	527.17914
Heavy Atoms	38
Complexity	960.0

Chemical Identifiers

CAS Number	59092-01-2
SMILES	C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](C(C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O
InChIKey	OOJKXEMHVCCQBB-VSXSTMLYSA-N