alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide
TL;DR: alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide (CAS 101692-39-1) is a chemical compound with molecular formula C40H55N9O14S and molecular weight 917.35895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8-hydroxy-22-methoxy-2,5,11,14,30,33,36,39-octaoxo-27-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]acetic acid
Also Known As: alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide, 9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-21-(2,3-dihydroxy-1-methylpropyl)-2-hydroxy-14-methoxy-5,8,20,23,24,27,30,33-octaoxo-
Technical Specifications
| Molecular Formula | C40H55N9O14S |
| Molecular Weight | 917.35895 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 372.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 917.35895 Da |
| Heavy Atoms | 64 |
| Complexity | 1780.0 |
| SMILES | CCC(C)C1C(=O)NCC(=O)NC2CSC3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)OC |
| InChIKey | QBAPQGBNFWTPBX-UHFFFAOYSA-N |
Product Description
Applications: AC1MI6HT is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, AC1MI6HT (CAS 101692-39-1) has the molecular formula C40H55N9O14S and a molecular weight of 917.36 g/mol. Synonyms include alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide and 9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-21-(2,3-dihydroxy-1-methylpropyl)-2-hydroxy-14-methoxy-5,8,20,23,24,27,30,33-octaoxo-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide
Property Insights of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide
The XLogP value of -2.0 indicates that alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 372.0 Ų indicates high polarity, suggesting alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide has 12 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 alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide?
The CAS number of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide is 101692-39-1.
What is the molecular formula of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide?
The molecular formula of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide is C40H55N9O14S.
What is the molecular weight of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide?
The molecular weight of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide is 917.35895 g/mol.
What are the applications of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide?
AC1MI6HT is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide?
You can request a quote for alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide?
Yes, CoreyChem provides custom synthesis services for alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, de-S-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.