14-O-phosphonooxymethyltriptolide disodium salt

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 21
Total Number of Articles : 18
PubChem 46203139
Molecular Formula

C21H25Na2O10P

SMILES

CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2OCOP(=O)([O-])[O-])O7)COC6=O)C.[Na+].[Na+]

InChI

InChI=1S/C21H27O10P.2Na/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25;;/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25);;/q;2*+1/p-2/t12-,13-,14-,15-,17+,18-,19-,20+,21+;;/m0../s1

synonyms
  • Minnelide
  • 1254702-87-8
  • 1CIV2UMO40
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Properties
Property Value
MW 514.4 g/mol
HBD 0
HBA 10
Rotatable Bond Count 4
Exact Mass 514.09807255 g/mol
Monoisotopic Mass 514.09807255 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 3
Complexity 1010
xlogp None
Topological Polar Surface Area 146