64936-81-8
Product Name:
3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID 3-SULFATE DISODIUM SALT HYDRATE
Formula:
C24H40Na2O7S
Synonyms:
3α, 12α -dihydroxy-5β-cholan-24-oic acid 3-sulfate disodium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 518.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 518.22901335 g/mol |
| Monoisotopic Mass | 518.22901335 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 772 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |