tetrahydropyranyl adriamycin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 3
PubChem 129628389
Molecular Formula

C32H37NO12

SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=C(C=C5)C6CCCCO6)OC)O)(C(=O)CO)O)N)O

InChI

InChI=1S/C32H37NO12/c1-13-26(36)17(33)9-21(44-13)45-19-11-32(41,20(35)12-34)10-16-22(19)29(39)25-24(28(16)38)27(37)15-7-6-14(18-5-3-4-8-43-18)31(42-2)23(15)30(25)40/h6-7,13,17-19,21,26,34,36,38-39,41H,3-5,8-12,33H2,1-2H3/t13-,17-,18?,19-,21-,26+,32-/m0/s1

synonyms
  • tetrahydropyranyl adriamycin
  • CHEBI:230657
  • (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-3-(oxan-2-yl)-8,10-dihydro-7H-tetracene-5,12-dione
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Properties
Property Value
MW 627.6 g/mol
HBD 6
HBA 13
Rotatable Bond Count 6
Exact Mass 627.23157562 g/mol
Monoisotopic Mass 627.23157562 g/mol
Heavy Atom Count 45
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 1140
xlogp 1.8
Topological Polar Surface Area 215