Antibiotic MA 144S2

HCID 99345

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Basic information

CAS: 63710-09-8
Standard SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC
InChIKey: PXKJRTZJMGPOGS-YBVXKORNSA-N
Molecular formula: C36H45NO14
Average molar mass: 715.7 g/mol
Monoisotopic mass: 715.28400511

Overview

Musettamycin has been reported in Streptomyces with data available.

Names & identifiers

Preferred name: Antibiotic MA 144S2
IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Names & synonyms

Antibiotic MA 144S2MA144 S21-Hydroxy MA144 S1CCRIS 2265NSC 219941SCHEMBL315070101-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,10-tetrahydroxy-4-((4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl esterMethyl (1R,2R,4S)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[(5xi)-2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-beta-D-erythro-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Database identifiers

CAS: 63710-09-8
PubChem CID: 99345
DTXSID: DTXSID501018819

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 222 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 15
Rotatable bonds: 8
Heavy atoms: 51
Formal charge: 0
Complexity: 1,300

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