alpha-D-Glucopyranoside, beta-D-fructofuranosyl, (Z,Z)-9,12-octadecadienoate

Base Information

• Chemical Name: alpha-D-Glucopyranoside, beta-D-fructofuranosyl, (Z,Z)-9,12-octadecadienoate
• CAS No.: 56449-51-5
• Molecular Formula: C30H52O12
• Molecular Weight: 604.72668
• European Community (EC) Number: 260-188-7
• DSSTox Substance ID: DTXSID601021312
• Mol file: 56449-51-5.mol

Synonyms:EINECS 260-188-7;56449-51-5;alpha-D-Glucopyranoside, beta-D-fructofuranosyl, (Z,Z)-9,12-octadecadienoate;DTXSID601021312

Chemical Property of alpha-D-Glucopyranoside, beta-D-fructofuranosyl, (Z,Z)-9,12-octadecadienoate

Chemical Property:

• Boiling Point: 777°Cat760mmHg
• Flash Point: 242°C
• Density: 1.29g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 20
• Exact Mass: 604.34587709
• Heavy Atom Count: 42
• Complexity: 837

Purity/Quality:

99% ^*data from raw suppliers

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Useful:

• Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC1(C(C(C(C(O1)CO)O)O)O)C2(C(C(C(O2)CO)O)O)CO
• Isomeric SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO

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