N,N-Dimethyladriamycin-14-valerate

[2-[4-[4-(dimethylamino)-6-hydroxy-5-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate

Also Known As: NNDAV|N,N-Dimethyladriamycin-14-valerate|2-(4-{[4-(dimethylamino)-6-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)-2-oxoethyl pentanoate|[2-[4-[4-(dimethylamino)-6-hydroxy-5-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate|2-(4-{[4-(DIMETHYLAMINO)-6-HYDROXY-5-METHYLOXAN-2-YL]OXY}-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-2-YL)-2-OXOETHYL PENTANOATE|Pentanoic acid, 2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl ester, (2S-cis)-

Molecular Formula	C34H41NO12
Molecular Weight	655.2629 g/mol
LogP	4.1
Topological Polar Surface Area	189.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	11
Exact Mass	655.2629
Monoisotopic Mass	655.2629
Heavy Atoms	47
Complexity	1180.0

Chemical Identifiers

CAS Number	6296-09-9
SMILES	CCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)O)C)N(C)C)O
InChIKey	TUGDDYYUXNGQOM-UHFFFAOYSA-N