Everolimus

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 553
Total Number of Articles : 2001
PubChem 6442177
Molecular Formula

C53H83NO14

SMILES

C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC

InChI

InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1

synonyms
  • 001, RAD
  • 40-O-(2-hydroxyethyl)-rapamycin
  • 40-O-(2-Hydroxyethyl)rapamycin
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Properties
Property Value
MW 958.2 g/mol
HBD 3
HBA 14
Rotatable Bond Count 9
Exact Mass 957.58135632 g/mol
Monoisotopic Mass 957.58135632 g/mol
Heavy Atom Count 68
Isotope Atom Count 0
Atom Stereo Count 15
Covalent Unit Count 1
Complexity 1810
xlogp 5.9
Topological Polar Surface Area 205