Litorin

Base Information

• Chemical Name: Litorin
• CAS No.: 55749-97-8
• Molecular Formula: C51H68N14O11S
• Molecular Weight: 1085.2378
• DSSTox Substance ID: DTXSID40204308
• Nikkaji Number: J12.946A
• Wikidata: Q83077747
• Mol file: 55749-97-8.mol

Synonyms:litorin;litorine

Chemical Property of Litorin

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 1693.3 °C at 760 mmHg
• Flash Point: 977.9 °C
• PSA: 417.85000
• Density: 1.34 g/cm³
• LogP: 2.74370
• Storage Temp.: -15°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 30
• Exact Mass: 1084.49127021
• Heavy Atom Count: 77
• Complexity: 2100

Purity/Quality:

99% ^*data from raw suppliers

Litorin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NCC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C5CCC(=O)N5
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5