CID 3085738

Base Information

• Chemical Name: CID 3085738
• CAS No.: 72175-39-4
• Molecular Formula: C27H54O9
• Molecular Weight: 522.7123
• European Community (EC) Number: 615-727-4
• DSSTox Substance ID: DTXSID60992896
• RXCUI: 1430130
• Mol file: 72175-39-4.mol

Synonyms:72175-39-4;PEG-20 methyl glucose sesquistearate;UNII-0345752X7U;0345752X7U;18-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxyoctadecanoic acid;ethanol;DTXSID60992896;XYTHHAXRVHHXKO-JIUYZRCGSA-N;Methyl 4-O-(17-carboxyheptadecyl)hexopyranoside--ethanol (1/1);C18-H36-O2.2/3(C2H4-O)mult-(C2-H4-O)mult-(C2-H4-O)mult-(C2-H4-O)mult-C7-H14-O6

Chemical Property of CID 3085738

Chemical Property:

• Boiling Point: 634.5°Cat760mmHg
• Flash Point: 202.2°C
• PSA: 145.91000
• Density: g/cm³
• LogP: 3.78180
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 21
• Exact Mass: 522.37678330
• Heavy Atom Count: 36
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCO.COC1C(C(C(C(O1)CO)OCCCCCCCCCCCCCCCCCC(=O)O)O)O
• Isomeric SMILES: CCO.COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCCCCCCCCCCCCCCCCCC(=O)O)O)O