Vincristine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 866
Total Number of Articles : 1646
PubChem 134755071
Molecular Formula

C46H56N4O10

SMILES

CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O

InChI

InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39-,42-,43+,44?,45-,46-/m0/s1

synonyms
  • vincristine
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Properties
Property Value
MW 825.0 g/mol
HBD 3
HBA 12
Rotatable Bond Count 10
Exact Mass 824.39964400 g/mol
Monoisotopic Mass 824.39964400 g/mol
Heavy Atom Count 60
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1750
xlogp 2.8
Topological Polar Surface Area 171