D-Glucitol, 1,3:2,4-bis-O-((4-ethylphenyl)methylene)-

Base Information

• Chemical Name: D-Glucitol, 1,3:2,4-bis-O-((4-ethylphenyl)methylene)-
• CAS No.: 80124-42-1
• Deprecated CAS: 753480-86-3,99270-25-4
• DSSTox Substance ID: DTXSID30893644
• Nikkaji Number: J1.044.648A
• Mol file: 80124-42-1.mol

Synonyms:80124-42-1;D-Glucitol, 1,3:2,4-bis-O-((4-ethylphenyl)methylene)-;D-Glucitol, 1,3:2,4-bis-O-[(4-ethylphenyl)methylene]-;NC-4[carbohydrate];SCHEMBL1664506;DTXSID30893644;1,3:2,4-Bis(O-p-ethylbenzylidene)-D-sorbitol

Chemical Property of D-Glucitol, 1,3:2,4-bis-O-((4-ethylphenyl)methylene)-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 414.20423867
• Heavy Atom Count: 30
• Complexity: 514

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C2OCC3C(O2)C(OC(O3)C4=CC=C(C=C4)CC)C(CO)O
• Isomeric SMILES: CCC1=CC=C(C=C1)C2OC[C@H]3[C@@H](O2)[C@H](OC(O3)C4=CC=C(C=C4)CC)[C@@H](CO)O