Patellamide D

Base Information

• Chemical Name: Patellamide D
• CAS No.: 120853-15-8
• Molecular Formula: C38H48 N8 O6 S2
• Molecular Weight: 776.96772
• DSSTox Substance ID: DTXSID70153037
• Nikkaji Number: J3.356.057E
• Wikidata: Q27149218
• Mol file: 120853-15-8.mol

Synonyms:patellamide D

Chemical Property of Patellamide D

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1039°Cat760mmHg
• Flash Point: 582.1°C
• PSA: 255.80000
• Density: 1.45g/cm³
• LogP: 3.99500
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 776.31382363
• Heavy Atom Count: 54
• Complexity: 1450

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: other linear non-peptide
• Canonical SMILES: CCC(C)C1C2=NC(C(O2)C)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C5=NC(=CS5)C(=O)N1)C)C(C)CC)CC6=CC=CC=C6
• Isomeric SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@@H](C5=NC(=CS5)C(=O)N1)C)[C@@H](C)CC)CC6=CC=CC=C6