Vitamin D2 sulfate

Base Information

• Chemical Name: Vitamin D2 sulfate
• CAS No.: 1784-46-9
• Molecular Formula: C28H44 O4 S
• Molecular Weight: 0
• Mol file: 1784-46-9.mol

Synonyms:ergocalciferol hydrogen sulfate;vitamin D2 3 beta sulfate;vitamin D2 sulfate;vitamin D2 sulfate, ammonium salt

Chemical Property of Vitamin D2 sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.1g/cm³
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 476.29603105
• Heavy Atom Count: 33
• Complexity: 905

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)OS(=O)(=O)O)C
• Isomeric SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)OS(=O)(=O)O)C
• Uses: A biliary metabolite of Vitamin D2 (V676040). The sulfate metabolite is not biologically active except at the highest doses tested.

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