1H-Inden-1-one, 4-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-

Base Information

• Chemical Name: 1H-Inden-1-one, 4-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-
• CAS No.: 78415-48-2
• Molecular Formula: C21H30 O8
• Molecular Weight: 410.4581
• DSSTox Substance ID: DTXSID90999752
• Mol file: 78415-48-2.mol

Synonyms:onitinoside

Chemical Property of 1H-Inden-1-one, 4-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-

Chemical Property:

• Vapor Pressure: 9.98E-20mmHg at 25°C
• Boiling Point: 685.4°C at 760 mmHg
• Flash Point: 239.4°C
• PSA: 136.68000
• Density: 1.352g/cm³
• LogP: -0.21810
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 410.19406791
• Heavy Atom Count: 29
• Complexity: 595

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C2=C1C(=O)C(C2)(C)C)OC3C(C(C(C(O3)CO)O)O)O)C)CCO
• Isomeric SMILES: CC1=C(C(=C(C2=C1C(=O)C(C2)(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)CCO

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