Pradimicin N

(2R)-2-[(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid

CAS: 129051-64-5

Molecular Formula	`C29H25NO12`
Molecular Weight	579.5 g/mol
LogP	2.7
Topological Polar Surface Area	220.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	579.1377
Heavy Atoms	42
Complexity	1100.0

Chemical Identifiers

CAS Number	129051-64-5
SMILES	`CC1=CC2=C(C3=C(C(C2O)O)C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC(=C5)OC)O)OC)C(=C1C(=O)NC(C)C(=O)O)O`
InChIKey	`GRWBRZRHHYOYGA-RJUKRNDXSA-N`

📖 Product Overview

Pradimicin N (CAS: 129051-64-5) is a chemical compound with molecular formula C29H25NO12 and molecular weight 579.5 g/mol. Its IUPAC systematic name is (2R)-2-[(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid. LogP 2.7 Topological Polar Surface Area 220.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 12 Rotatable Bonds 5 Exact Mass 579.1377 Heavy Atoms 42 Complexity 1100.0 InChI Key: GRWBRZRHHYOYGA-RJUKRNDXSA-N. SMILES: CC1=CC2=C(C3=C(C(C2O)O)C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC(=C5)OC)O)OC)C(=C1C(=O)NC(C)C(=O)O)O.

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