C39H54N10O14S
TL;DR: C39H54N10O14S (CAS 11000-43-4) is a chemical compound with molecular formula C39H54N10O14S and molecular weight 918.3542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide
Also Known As: alpha-amanitin, alpha-Amatoxin, alpha-Amanitine, A-Amanitin, Alpha Amanitin
Technical Specifications
| Molecular Formula | C39H54N10O14S |
| Molecular Weight | 918.3542 g/mol |
| XLogP | -4.4 |
| Topological Polar Surface Area (TPSA) | 400.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 918.3542 Da |
| Heavy Atoms | 64 |
| Complexity | 1840.0 |
| SMILES | CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2CS(=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O |
| InChIKey | CIORWBWIBBPXCG-JAXJKTSHSA-N |
Chemical Property Profile of C39H54N10O14S
Property Insights of C39H54N10O14S
The XLogP value of -4.4 indicates that C39H54N10O14S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 400.0 Ų indicates high polarity, suggesting C39H54N10O14S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C39H54N10O14S has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C39H54N10O14S?
The CAS number of C39H54N10O14S is 11000-43-4.
What is the molecular formula of C39H54N10O14S?
The molecular formula of C39H54N10O14S is C39H54N10O14S.
What is the molecular weight of C39H54N10O14S?
The molecular weight of C39H54N10O14S is 918.3542 g/mol.
Where can I buy C39H54N10O14S?
You can request a quote for C39H54N10O14S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C39H54N10O14S?
Yes, CoreyChem provides custom synthesis services for C39H54N10O14S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.