3-(((2-((4-Azidobenzoyl-3,5-t2)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine

Base Information

• Chemical Name: 3-(((2-((4-Azidobenzoyl-3,5-t2)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine
• CAS No.: 102976-55-6
• Molecular Formula: C52H61 N9 O8 T2
• Molecular Weight: 946.1283
• Mol file: 102976-55-6.mol

Synonyms:102976-55-6;3-(((2-((4-Azidobenzoyl-3,5-t2)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine;Vincaleukoblastine, 3-(((2-((4-azidobenzoyl-3,5-t2)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-;C52H61N9O8T2;C52-H61-N9-O8-T2

Chemical Property of 3-(((2-((4-Azidobenzoyl-3,5-t2)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 945.49640850
• Heavy Atom Count: 69
• Complexity: 2030

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NCCNC(=O)C1=CC=C(C=C1)N=[N+]=[N-])O)O)CC)OC)C(=O)OC)O
• Isomeric SMILES: [3H]C1=CC(=CC(=C1N=[N+]=[N-])[3H])C(=O)NCCNC(=O)[C@]2([C@@H]([C@@]3(C=CCN4[C@@H]3C5([C@H]2N(C6=CC(=C(C=C65)[C@]7(C[C@H]8C[C@](CN(C8)CCC9=C7NC1=CC=CC=C91)(CC)O)C(=O)OC)OC)C)CC4)CC)O)O