Isomaltoheptaose

Base Information

• Chemical Name: Isomaltoheptaose
• CAS No.: 6513-12-8
• Molecular Formula: C42H72 O36
• Molecular Weight: 1153
• DSSTox Substance ID: DTXSID10215446
• Wikidata: Q83091496
• Mol file: 6513-12-8.mol

Synonyms:isomaltoheptaose

Chemical Property of Isomaltoheptaose

Chemical Property:

• Boiling Point: 1473.5±65.0 °C(Predicted)
• PKA: 12.45±0.20(Predicted)
• PSA: 593.12000
• Density: 1.85±0.1 g/cm3(Predicted)
• LogP: -16.43360
• XLogP3: -13
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 36
• Rotatable Bond Count: 23
• Exact Mass: 1152.3803286
• Heavy Atom Count: 78
• Complexity: 1800

Purity/Quality:

99%, ^*data from raw suppliers

Isomaltoheptaose ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OCC(C(C(C(C=O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O