pirarubicin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 160
Total Number of Articles : 168
PubChem 11296583
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(=CC=C5)OC)O)(C(=O)CO)O)N)O[C@@H]6CCCCO6

InChI

InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21+,22-,31+,32-/m0/s1

synonyms
  • pirarubicin
  • Theprubicin
  • 72496-41-4
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Properties
Property Value
MW 627.6 g/mol
HBD 5
HBA 13
Rotatable Bond Count 7
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 1120
xlogp 2.7
Topological Polar Surface Area 204