Sirolimus

HCID 5284616CAS 53123-88-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
InChIKey
QFJCIRLUMZQUOT-HPLJOQBZSA-N
Molecular formula
C51H79NO13
Average molar mass
914.2 g/mol
Monoisotopic mass
913.55514157

Names & identifiers

Preferred name
Sirolimus
IUPAC
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

Names & synonyms

rapamycinSirolimus(-)-Rapamycin53123-88-9RapamunerapalimusAY-22989WY-090217FYARROHYFTORsirolimusumNpc-12g
Show more names
Antibiotic AY 22989RAPARapammuneSILA 9268AW36ZG6FT64L04AA10NSC-226080CHEBI:9168

Database identifiers

CAS
53123-88-9
PubChem CID
5284616
DTXSID
DTXSID5023582
ChEMBL
CHEMBL413
ChEBI
CHEBI:9168
UNII
W36ZG6FT64
EC Number
610-965-5

Properties

Computed structural properties

XLogP
6
Topological polar surface area
195 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
13
Rotatable bonds
6
Heavy atoms
65

Related reactions

22 records
New reaction record

Linked notes

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