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Catalog Number | ACM16790935 |
CAS Number | 16790-93-5 |
Synonyms | 20S-Hydroxyconopharyngine |
Molecular Weight | 414.5 |
InChI | InChI=1S/C23H30N2O5/c1-12(26)15-7-13-10-23(22(27)30-4)20-14(5-6-25(11-13)21(15)23)16-8-18(28-2)19(29-3)9-17(16)24-20/h8-9,12-13,15,21,24,26H,5-7,10-11H2,1-4H3/t12-,13+,15+,21-,23+/m0/s1 |
InChI Key | RCDVEJINCXVEQG-UNJQAPKOSA-N |
Purity | 95%+ |
Complexity | 676 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 5 |
Exact Mass | 414.21547206 |
Heavy Atom Count | 30 |
Hydrogen Bond Acceptor Count | 6 |
Hydrogen Bond Donor Count | 2 |
Isomeric SMILES | C[C@@H]([C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)OC)C(=O)OC)O |
Monoisotopic Mass | 414.21547206 |
PhysicalState | Powder |
Rotatable Bond Count | 5 |
Topological Polar Surface Area | 84 Ų |
What is the chemical name of 20S-Hydroxyconopharyngine?
Ibogamine-18-carboxylic acid, 20-hydroxy-12,13-dimethoxy-, methyl ester, (20S)-
What is the CAS number of 20S-Hydroxyconopharyngine?
16790-93-5
What is the molecular formula of 20S-Hydroxyconopharyngine?
C23H30N2O5
What is the molecular weight of 20S-Hydroxyconopharyngine?
414.5 g/mol
What is the predicted boiling point of 20S-Hydroxyconopharyngine?
560.3 ± 50.0 °C
What is the predicted density of 20S-Hydroxyconopharyngine?
1.32 ± 0.1 g/cm3
What is the predicted pKa value of 20S-Hydroxyconopharyngine?
14.93 ± 0.20
What are some synonyms for 20S-Hydroxyconopharyngine?
20-Hydroxyconopharyngine, 19(S)-Hydroxyconopharyngine, Ibogamine-18-carboxylic acid
How is 20S-Hydroxyconopharyngine predicted to behave at its boiling point?
It is predicted to vaporize.
How does the density of 20S-Hydroxyconopharyngine compare to water?
It is denser than water.
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