Transvaalin
TL;DR: Transvaalin (CAS 124-99-2) is a chemical compound with molecular formula C36H52O13 and molecular weight 692.3408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Transvaalin, SCILLAREN A, Glucoproscillaridin A, NCI60_041648, 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Technical Specifications
| Molecular Formula | C36H52O13 |
| Molecular Weight | 692.3408 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 692.3408 Da |
| Heavy Atoms | 49 |
| Complexity | 1370.0 |
| SMILES | CC1C(C(C(C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O |
| InChIKey | SANIPSLLLIEJOB-NCQVURFFSA-N |
Chemical Property Profile of Transvaalin
Property Insights of Transvaalin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Transvaalin. The TPSA of 205.0 Ų indicates high polarity, suggesting Transvaalin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Transvaalin has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Transvaalin?
The CAS number of Transvaalin is 124-99-2.
What is the molecular formula of Transvaalin?
The molecular formula of Transvaalin is C36H52O13.
What is the molecular weight of Transvaalin?
The molecular weight of Transvaalin is 692.3408 g/mol.
Where can I buy Transvaalin?
You can request a quote for Transvaalin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Transvaalin?
Yes, CoreyChem provides custom synthesis services for Transvaalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.