Prolylrapamycin

Chemical Information
| CAS Number | 156223-31-3 |
| PubChem CID | 166639500 |
| IUPAC Name | (1R,8S,14R,15E,17R,20R,22S,25E,27Z,31S,34R)-1,17-dihydroxy-11-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,8]pentatriaconta-15,23,25,27-tetraene-2,3,9,13,19-pentone |
| Molecular Formula | C50H77NO13 |
| Molecular Weight | 900.1 |
| XLogP | 5.7 |
| Topological Polar Surface Area | 195 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 64 |
| Formal Charge | 0 |
| Complexity | 1740 |
| Property | Value |
|---|---|
| Molecular Weight | 900.1 |
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 6 |
| Exact Mass | 899.53949151 |
| Monoisotopic Mass | 899.53949151 |
| Topological Polar Surface Area | 195 Ų |
| Heavy Atom Count | 64 |
| Formal Charge | 0 |
| Complexity | 1740 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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