Rokitamycin

Base Information

• Chemical Name: Rokitamycin
• CAS No.: 74014-51-0
• Molecular Formula: C42H69 N O15
• Molecular Weight: 827.995
• UNII: ZPT03UEM0E
• ChEMBL ID: CHEMBL1908350
• DSSTox Substance ID: DTXSID6023521
• Metabolomics Workbench ID: 144294
• NCI Thesaurus Code: C152240
• Wikidata: Q3940221
• Wikipedia: Rokitamycin
• Mol file: 74014-51-0.mol

Synonyms:3''-O-propionylleucomycin A5;pro-leucomycin A5;rokitamycin;TMS-19-Q

Chemical Property of Rokitamycin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 116°
• Boiling Point: 879.3 °C at 760 mmHg
• PKA: 13.06±0.70(Predicted)
• Flash Point: 485.6 °C
• PSA: 206.05000
• Density: 1.21 g/cm³
• LogP: 3.15750
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 15
• Exact Mass: 827.46672049
• Heavy Atom Count: 58
• Complexity: 1380

Purity/Quality:

99.99%HPLC ^*data from raw suppliers

Ricamycin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1C(OC(CC1(C)OC(=O)CC)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(C=CC=CCC(OC(=O)CC(C3OC)O)C)O)C)CC=O)C)C
• Isomeric SMILES: CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)O)C)O)C)CC=O)C)C
• Description: Rokitamycin is a semisynthetic macrolide antibiotic, closely related to miokamycin(2) both in structure and antimicrobial spectrum.