xestospongin D

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 9847216
Molecular Formula

C28H50N2O3

SMILES

C1CCC[C@H]2CCN3CCC[C@]([C@H]3O2)(CCCCCC[C@H]4CCN5CCC[C@@H]([C@H]5O4)CC1)O

InChI

InChI=1S/C28H50N2O3/c31-28-17-8-4-3-7-13-24-15-21-29-19-9-12-23(26(29)32-24)11-5-1-2-6-14-25-16-22-30(20-10-18-28)27(28)33-25/h23-27,31H,1-22H2/t23-,24-,25-,26+,27+,28-/m0/s1

synonyms
  • xestospongin d
  • (1S,8S,10R,15S,22S,29R)-9,30-Dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol
  • XeD compound
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Properties
Property Value
MW 462.7 g/mol
HBD 1
HBA 5
Rotatable Bond Count 0
Exact Mass 462.38214346 g/mol
Monoisotopic Mass 462.38214346 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 604
xlogp 6.1
Topological Polar Surface Area 45.2