Bucladesine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1235
Total Number of Articles : 1825
PubChem 23663967
Molecular Formula

C18H23N5NaO8P

SMILES

CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])OC(=O)CCC.[Na+]

InChI

InChI=1S/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1

synonyms
  • Bucladesine sodium
  • 16980-89-5
  • bucladesine
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Properties
Property Value
MW 491.4 g/mol
HBD 1
HBA 11
Rotatable Bond Count 8
Exact Mass 491.11819399 g/mol
Monoisotopic Mass 491.11819399 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 2
Complexity 765
xlogp None
Topological Polar Surface Area 167