sagopilone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 108
Total Number of Articles : 76
PubChem 11284169
Molecular Formula

C30H41NO6S

SMILES

C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)C

InChI

InChI=1S/C30H41NO6S/c1-7-9-20-27(34)17(2)10-8-13-30(6)25(37-30)15-22(19-11-12-23-21(14-19)31-18(3)38-23)36-26(33)16-24(32)29(4,5)28(20)35/h7,11-12,14,17,20,22,24-25,27,32,34H,1,8-10,13,15-16H2,2-6H3/t17-,20+,22-,24-,25-,27-,30+/m0/s1

synonyms
  • Sagopilone
  • 305841-29-6
  • ZK-EPO
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Properties
Property Value
MW 543.7 g/mol
HBD 2
HBA 8
Rotatable Bond Count 3
Exact Mass 543.26545920 g/mol
Monoisotopic Mass 543.26545920 g/mol
Heavy Atom Count 38
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 881
xlogp 4.9
Topological Polar Surface Area 138