Gnidimacrin

Base Information

• Chemical Name: Gnidimacrin
• CAS No.: 60796-70-5
• Molecular Formula: C44H54O12
• Molecular Weight: 774.8924
• Wikidata: Q105260011
• ChEMBL ID: CHEMBL4786738
• Mol file: 60796-70-5.mol

Synonyms:gnidimacrin

Chemical Property of Gnidimacrin

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 12.75±0.70(Predicted)
• Flash Point: °C
• PSA: 173.74000
• Density: 1.38g/cm³
• LogP: 4.32700
• XLogP3: 6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 774.36152715
• Heavy Atom Count: 56
• Complexity: 1540

Purity/Quality:

99% ^*data from raw suppliers

GNIDIMACRIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCCCC(C23OC4C5C6C(O6)(C(C7(C(C1C(C7OC(=O)C8=CC=CC=C8)C)C5(O2)C(CC4(O3)C(=C)C)COC(=O)C9=CC=CC=C9)O)O)CO)O
• Isomeric SMILES: C[C@@H]1CCCCCC[C@H]([C@]23O[C@@H]4[C@@H]5[C@H]6[C@](O6)([C@H]([C@]7([C@@H]([C@@H]1[C@@H]([C@@H]7OC(=O)C8=CC=CC=C8)C)[C@@]5(O2)[C@@H](C[C@@]4(O3)C(=C)C)COC(=O)C9=CC=CC=C9)O)O)CO)O