Rutin sulfate

Base Information

• Chemical Name: Rutin sulfate
• CAS No.: 12768-44-4
• Molecular Formula: C27H30O16^.H2SO4
• Molecular Weight: 708.60
• European Community (EC) Number: 235-805-8
• DSSTox Substance ID: DTXSID1021249
• Mol file: 12768-44-4.mol

Synonyms:rutin sodium sulfate;rutin sulfate;rutin sulfate, monosodium salt, monohydrogen

Chemical Property of Rutin sulfate

Chemical Property:

• Appearance/Colour: Yellow or Light Yellow-green Fine Powder
• Melting Point: 195oC (dec.)(lit.)
• Boiling Point: 983.1oC at 760 mmHg
• Flash Point: 325.4oC
• PSA: 82.98000
• LogP: 6.96590
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 6
• Exact Mass: 708.12076458
• Heavy Atom Count: 48
• Complexity: 1110

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O