Somatostatin 25-(1-9)

Base Information

• Chemical Name: Somatostatin 25-(1-9)
• CAS No.: 94152-60-0
• Molecular Formula: C39H65N13O14S
• Molecular Weight: 972.0771
• DSSTox Substance ID: DTXSID60240809
• Mol file: 94152-60-0.mol

Synonyms:somatostatin 25-(1-9);SS25(1-9)

Chemical Property of Somatostatin 25-(1-9)

Chemical Property:

• PSA: 466.36000
• Density: 1.57g/cm³
• LogP: -1.10950
• XLogP3: -8.1
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 28
• Exact Mass: 971.44946497
• Heavy Atom Count: 67
• Complexity: 1850

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)NC(CCSC)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(=O)N)NC(=O)C(CO)N
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)N