Alborixin

Base Information

• Chemical Name: Alborixin
• CAS No.: 57760-36-8
• Molecular Formula: C48H84 O14
• Molecular Weight: 885.17
• UNII: 0I21L1W8NY
• DSSTox Substance ID: DTXSID701035449
• Wikidata: Q27147545
• Mol file: 57760-36-8.mol

Synonyms:alborixin;alborixin monopotassium salt

Chemical Property of Alborixin

Chemical Property:

• Melting Point: 100-105°
• Boiling Point: 929.8°Cat760mmHg
• PKA: 10.02 (25° in methanol)
• Flash Point: 259.8°C
• PSA: 214.06000
• Density: 1.157g/cm³
• LogP: 5.67830
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 13
• Exact Mass: 884.58610735
• Heavy Atom Count: 62
• Complexity: 1550

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

ALBORIXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(CCC(O1)C2(CC(C(O2)(C3(CCC(O3)C(C4(C(CC(C(O4)CC5(C(CCC(O5)C(C)C(CC6C(CC(C(O6)C(C)C(=O)O)C)C)O)C)O)C)C)O)O)C)O)C)C)(C)O
• Isomeric SMILES: CC[C@H]1[C@](CC[C@@H](O1)[C@@]2(C[C@H]([C@@](O2)([C@@]3(CC[C@H](O3)[C@H]([C@]4([C@@H](C[C@@H]([C@H](O4)C[C@@]5([C@H](CC[C@@H](O5)[C@@H](C)[C@@H](C[C@H]6[C@@H](C[C@@H]([C@H](O6)[C@@H](C)C(=O)O)C)C)O)C)O)C)C)O)O)C)O)C)C)(C)O