Glykenin IV

Base Information

• Chemical Name: Glykenin IV
• CAS No.: 134479-76-8
• Molecular Formula: C46H82 O21
• Molecular Weight: 971.13
• DSSTox Substance ID: DTXSID40158736
• Wikidata: Q83027047
• Mol file: 134479-76-8.mol

Synonyms:glykenin IV;glykenin IVA;glykenin IVB

Chemical Property of Glykenin IV

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1037.4°C at 760 mmHg
• PKA: 3.86±0.21(Predicted)
• Flash Point: 290°C
• PSA: 327.35000
• Density: 1.31g/cm³
• LogP: 1.22890
• XLogP3: 3
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 35
• Exact Mass: 970.53485962
• Heavy Atom Count: 67
• Complexity: 1380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CCCC(C(CCCCCCCCCCCCCC(C(=O)O)O)O)O)OC1C(C(C(CO1)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)O)O)O)OC3C(C(C(CO3)O)O)O
• Isomeric SMILES: CCCCC[C@H](CCC[C@@H]([C@@H](CCCCCCCCCCCCC[C@@H](C(=O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O