Deoxymulundocandin
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Deoxymulundocandin
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CAS No:
138626-63-8
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Formula:
C48H77N7O15
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Chemical Name:
Deoxymulundocandin
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Synonyms:
deoxymulundocandin;UNII-08CFZ3P61X;08CFZ3P61X;12-methyl-N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-2,11,12,15-tetrahydroxy-23-((R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl)-6-((R)-1-hydroxyethyl)-20-(hydroxymethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2",1"-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)tetradecanamide;Q27236400;L-Proline, (4R,5R)-4,5-dihydroxy-N2-(12-methyl-1-oxotetradecyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-4-(4-hydroxyphenyl)-L-threonyl-L-seryl-3-hydroxy-4-methyl-, cyclic (6-1)-peptide, (2alpha,3beta,4beta)-
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CAS No:
Characteristics
348
-0.25650
1.36±0.1 g/cm3(Predicted)
1330.3±65.0 °C(Predicted)
758.3ºC
1.618
0mmHg at 25°C
Computed Properties
Molecular Weight:992.2
XLogP3:2.8
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:18
Exact Mass:991.54776477
Monoisotopic Mass:991.54776477
Topological Polar Surface Area:348
Heavy Atom Count:70
Complexity:1740
Undefined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes