Esperamicin P

Base Information

• Chemical Name: Esperamicin P
• CAS No.: 133978-90-2
• Molecular Formula: C59H80 N4 O22 S5
• Molecular Weight: 1357.6
• Mol file: 133978-90-2.mol

Synonyms:BMY 41339;BMY-41339;esperamicin P

Chemical Property of Esperamicin P

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 460.02000
• Density: 1.44g/cm³
• LogP: 5.70030
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 28
• Exact Mass: 1356.3867761
• Heavy Atom Count: 90
• Complexity: 2720

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C#CC=CC#CC3(C(C(=O)C(=C2C3=CCSSSSC)NC(=O)OC)OC4CC(C(C(O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)OC6CC(C(CO6)NC(C)C)OC)O)NOC7CC(C(C(O7)C)SC)O
• Isomeric SMILES: CC1C(C(C(C(O1)OC2C#C/C=C\C#CC\3(C(C(=O)C(=C2/C3=C/CSSSSC)NC(=O)OC)OC4CC(C(C(O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)OC6CC(C(CO6)NC(C)C)OC)O)NOC7CC(C(C(O7)C)SC)O