7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin

Base Information

• Chemical Name: 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin
• CAS No.: 745779-75-3
• Molecular Formula: C52H81NO14
• Molecular Weight: 944.2
• UNII: ECI6WI7P2Q
• DSSTox Substance ID: DTXSID90861425
• Mol file: 745779-75-3.mol

Synonyms:16-O-Demethyl-sdz rad;ECI6WI7P2Q;16-O-Demethyl-everolimus;7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin;Everolimus 30-o-desmethyl impurity;O-Desmethyl Everolimus;Rapamycin, 7-O-demethyl-42-O-(2-hydroxyethyl)-;745779-75-3;SCHEMBL18392950;DTXSID90861425

Chemical Property of 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin

Chemical Property:

• PKA: 10.41±0.70(Predicted)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 943.56570626
• Heavy Atom Count: 67
• Complexity: 1790

Purity/Quality:

99% ^*data from raw suppliers

O-DesmethylEverolimus(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)O
• Isomeric 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)O