N,N-Didemethyl-1-deoxypyrromycin

methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Also Known As: Antibiotic MA 144KH|N,N-Didemethyl-1-deoxypyrromycin|N-Demethyl-1-deoxypyrromycin|N-Monodemethyl-1-deoxypyrromycin|D-788-17|1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,11-dioxo-2-ethyl-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-|(1R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2alpha,5,7-trihydroxy-6,11-dioxo-4alpha-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]naphthacene-1beta-carboxylic acid methyl ester|1-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-, methyl ester, [1R-(1.alpha.,2.beta.,4.beta.)]-|methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate|methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|Methyl 4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Molecular Formula	C28H31NO10
Molecular Weight	541.1948 g/mol
LogP	2.1
Topological Polar Surface Area	186.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	541.1948
Monoisotopic Mass	541.1948
Heavy Atoms	39
Complexity	976.0

Chemical Identifiers

CAS Number	67508-85-4
SMILES	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O
InChIKey	MCWLCHNOMBKWNJ-JXJKFGGBSA-N