Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-
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Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-
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CAS No:
144074-96-4
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Formula:
C50H80N8O17
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Chemical Name:
Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-
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Synonyms:
pneumocandin C(0);pneumocandin C0;Pneumocandin C(0);144074-96-4;Pneumocandin C0;Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-;Pneumocandin Co;N-[(3S,6S,9S,11R,15S,20S,21R,24S,26R)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,26-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;SCHEMBL1162942;EX-A3229;6-(trans-4-hydroxy-L-proline)-Pneumocandin Bo;N-[[(1R)-3-amino-1-hydroxy-3-oxo-propyl]-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-tetrahydroxy-[(1R)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide
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CAS No:
Computed Properties
Molecular Weight:1065.2
XLogP3:0.5
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:20
Exact Mass:1064.56414311
Monoisotopic Mass:1064.56414311
Topological Polar Surface Area:411
Heavy Atom Count:75
Complexity:1930
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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