25-Hydroxyvitamin D2-25-glucuronide

Base Information

• Chemical Name: 25-Hydroxyvitamin D2-25-glucuronide
• CAS No.: 76020-77-4
• Molecular Formula: C34H52 O8
• Molecular Weight: 0
• Metabolomics Workbench ID: 40897
• Mol file: 76020-77-4.mol

Synonyms:25-HVD2-25-GUR;25-hydroxyergocalciferol-25-glucuronide;25-hydroxyvitamin D2-25-glucuronide

Chemical Property of 25-Hydroxyvitamin D2-25-glucuronide

Chemical Property:

• Vapor Pressure: 1.51E-25mmHg at 25°C
• Boiling Point: 744°C at 760 mmHg
• Flash Point: 229.6°C
• Density: 1.21g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 588.36621861
• Heavy Atom Count: 42
• Complexity: 1090

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C=CC(C)C(C)(C)OC1C(C(C(C(O1)C(=O)O)O)O)O)C2CCC3C2(CCCC3=CC=C4CC(CCC4=C)O)C
• Isomeric SMILES: C[C@H](/C=C/[C@H](C)C(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CCC\3[C@@]2(CCC/C3=C\C=C/4\CC(CCC4=C)O)C