N-Trifluoroacetyldoxorubicin

2,2,2-trifluoro-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide

CAS: 26295-56-7

Molecular Formula	`C29H28F3NO12`
Molecular Weight	639.5 g/mol
LogP	2.6
Topological Polar Surface Area	209.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	15
Rotatable Bonds	6
Exact Mass	639.1564
Heavy Atoms	45
Complexity	1190.0

Chemical Identifiers

CAS Number	26295-56-7
SMILES	`CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C(F)(F)F)O`
InChIKey	`RQIOYWADAKTIJC-XUKKXQNXSA-N`

📖 Product Overview

N-Trifluoroacetyldoxorubicin (CAS: 26295-56-7) is a chemical compound with molecular formula C29H28F3NO12 and molecular weight 639.5 g/mol. Its IUPAC systematic name is 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide. LogP 2.6 Topological Polar Surface Area 209.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 15 Rotatable Bonds 6 Exact Mass 639.1564 Heavy Atoms 45 Complexity 1190.0 InChI Key: RQIOYWADAKTIJC-XUKKXQNXSA-N. SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C(F)(F)F)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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