Trifluoroacetyladriamycin-14-valerate

[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate

Also Known As: Valrubicin|Valstar|Antibiotic AD 32|Valtaxin|Valrubicin [USAN]|Valstar Preservative Free|Valstar (TN)|Valrubicin (USP/INN)|Adriamycin, 14-valerate|Valstar (TN) (Anthra)|AD 32|N-Trifluoroacetyladriamycin-14-valerate|D07IPB|AC1L26EA|Trifluoroacetyladriamycin-14-valerate|HSDB 7288|Valrubicin [USAN:USP:INN]|ZOCKGBMQLCSHFP-ZQUOIQDWSA-N|N-Trifluoroacetyldoxorubicin 14-valerate|AD-32|N-Trifluoroacetyladriamycin 14-valerate|Adriamycin, trifluoroacetyl-, 14-valerate|NCGC00164738-02|NCI60_001970|AB01273977-01|I06-1096|(2S-cis)-2-(1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl pentanoate|(2S-cis)-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-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphth acenyl)-2-oxoethyl ester|(8S,10S)-8-Glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione 8(sup 2)-valerate|[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate|Pentanoic acid, 2-((2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetylamino)-, alpha-L-lysohexopyranoxyl)oxy)-2-naphthacenyl)-2-oxoethyl ester|[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate|2-oxo-2-((2S,4S)-2,5,12-trihydroxy-4-((5-hydroxy-6-methyl-4-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-2-yl)oxy)-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)ethyl pentanoate

Molecular Formula	C34H36F3NO13
Molecular Weight	723.21387 g/mol
LogP	2.46
Topological Polar Surface Area	215.22 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	10
Exact Mass	723.21387
Heavy Atoms	51
Complexity	1776.5

Chemical Identifiers

CAS Number	56124-62-0
SMILES	CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O