Sirolimus

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2874
Total Number of Articles : 8062
PubChem 5284616
Molecular Formula

C51H79NO13

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)O)C)/C)O)OC)C)C)/C)OC

InChI

InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1

synonyms
  • (-)-Rapamycin
  • 53123-88-9
  • AY 22989
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Properties
Property Value
MW 914.2 g/mol
HBD 3
HBA 13
Rotatable Bond Count 6
Exact Mass 913.55514157 g/mol
Monoisotopic Mass 913.55514157 g/mol
Heavy Atom Count 65
Isotope Atom Count 0
Atom Stereo Count 15
Covalent Unit Count 1
Complexity 1760
xlogp 6
Topological Polar Surface Area 195