Pneumocandin D(0)
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Pneumocandin D(0)
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CAS No:
144087-99-0
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Formula:
C50H80N8O18
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Chemical Name:
Pneumocandin D(0)
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Synonyms:
pneumocandin D(0);pneumocandin D0;Pneumocandin Do;Pneumocandin D0;144087-99-0;Pneumocandin D(0);N-[(3S,6S,9S,11R,15S,18S,20S,21R,24S,25R,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25,26-pentahydroxy-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;N-[[(1R)-3-amino-1-hydroxy-3-oxo-propyl]-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-pentahydroxy-[(1R)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide
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CAS No:
Computed Properties
Molecular Weight:1081.2
XLogP3:-0.5
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:20
Exact Mass:1080.55905773
Monoisotopic Mass:1080.55905773
Topological Polar Surface Area:432
Heavy Atom Count:76
Complexity:1960
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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