Pradimicin FA 1

(2S)-3-hydroxy-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5R,6R)-4-hydroxy-6-methyl-5-(methylamino)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

CAS: 131426-58-9

Molecular Formula	`C40H44N2O19`
Molecular Weight	856.8 g/mol
LogP	-2.9
Topological Polar Surface Area	341.0 A2
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	20
Rotatable Bonds	10
Exact Mass	856.25385
Heavy Atoms	61
Complexity	1620.0

Chemical Identifiers

CAS Number	131426-58-9
SMILES	`CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(CO)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)OC7C(C(C(CO7)O)O)O)O)NC`
InChIKey	`IABQXKYWFNKIFA-HBFDRNORSA-N`

📖 Product Overview

Pradimicin FA 1 (CAS: 131426-58-9) is a chemical compound with molecular formula C40H44N2O19 and molecular weight 856.8 g/mol. Its IUPAC systematic name is (2S)-3-hydroxy-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5R,6R)-4-hydroxy-6-methyl-5-(methylamino)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid. LogP -2.9 Topological Polar Surface Area 341.0 A2 Hydrogen Bond Donors 12 Hydrogen Bond Acceptors 20 Rotatable Bonds 10 Exact Mass 856.25385 Heavy Atoms 61 Complexity 1620.0 InChI Key: IABQXKYWFNKIFA-HBFDRNORSA-N. SMILES: CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(CO)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)OC7C(C(C(CO7)O)O)O)O)NC.

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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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