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

CAS: 136816-53-0

Molecular Formula	`C34H36F3NO13`
Molecular Weight	723.6 g/mol
LogP	4.0
Topological Polar Surface Area	215.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	16
Rotatable Bonds	11
Exact Mass	723.21387
Heavy Atoms	51
Complexity	1350.0

Chemical Identifiers

CAS Number	136816-53-0
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)C)O)NC(=O)C(F)(F)F)O`
InChIKey	`ZOCKGBMQLCSHFP-ZQUOIQDWSA-N`

📖 Product Overview

Trifluoroacetyladriamycin-14-valerate (CAS: 136816-53-0) is a chemical compound with molecular formula C34H36F3NO13 and molecular weight 723.6 g/mol. Its IUPAC systematic name is [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. LogP 4.0 Topological Polar Surface Area 215.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 16 Rotatable Bonds 11 Exact Mass 723.21387 Heavy Atoms 51 Complexity 1350.0 InChI Key: ZOCKGBMQLCSHFP-ZQUOIQDWSA-N. 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)C)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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