Terdecamycin

Base Information

• Chemical Name: Terdecamycin
• CAS No.: 113167-61-6
• Molecular Formula: C31H43 N3 O8
• Molecular Weight: 585.69
• European Community (EC) Number: 688-118-4
• UNII: 2F6E3ZFI88
• Wikidata: Q27254659
• NCI Thesaurus Code: C132142
• ChEMBL ID: CHEMBL2106036
• Mol file: 113167-61-6.mol

Synonyms:terdecamycin

Chemical Property of Terdecamycin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 142.55000
• Density: 1.24g/cm³
• LogP: 2.37610
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 585.30501534
• Heavy Atom Count: 42
• Complexity: 1200

Purity/Quality:

TERDECAMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)OC(=O)N3CCN(CC3)C)C)O
• Isomeric SMILES: C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)OC(=O)N3CCN(CC3)C)/C)O