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Deoxymulundocandin

Deoxymulundocandin structure

Deoxymulundocandin 

structure
  • CAS No:

    138626-63-8

  • Formula:

    C48H77N7O15

  • Chemical Name:

    Deoxymulundocandin

  • 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)-

Deoxymulundocandin Basic Attributes

992.17

991.547765

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

Drug Information

deoxymulundocandin

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

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