C35H48N8O11S

C35H48N8O11S — CID 4752

About C35H48N8O11S

C35H48N8O11S (PubChem CID 4752) has the molecular formula C35H48N8O11S and a molecular weight of 788.90 g/mol. Its IUPAC name is 28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone.

Molecular Properties

• Compound Name: C35H48N8O11S
• PubChem CID: 4752
• Molecular Formula: C35H48N8O11S
• Molecular Weight: 788.90 g/mol
• Exact Mass: 788.32
• IUPAC Name: 28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
• SMILES: CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)O
• InChIKey: KPKZJLCSROULON-UHFFFAOYSA-N
• XLogP: -1.70
• TPSA: 317.00 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: 1510

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	788.90
LogP ≤ 5	-1.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	12