alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide
TL;DR: alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide (CAS 101692-40-4) is a chemical compound with molecular formula C40H55N9O15S and molecular weight 933.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8-hydroxy-22-methoxy-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]acetic acid
Also Known As: alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-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-, 11-oxide, (R)-
| Molecular Formula | C40H55N9O15S |
|---|---|
| Molecular Weight | 933.35 g/mol |
| LogP | -5.0179 |
| Topological Polar Surface Area | 364.09 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 933.3538 |
| Heavy Atoms | 65 |
| Complexity | 2220.6355 |
Chemical Identifiers
| CAS Number | 101692-40-4 |
|---|---|
| SMILES | CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=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 |
Product Overview
alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide (CAS 101692-40-4), with molecular formula C40H55N9O15S and molecular weight 933.35 g/mol. IUPAC: 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8-hydroxy-22-methoxy-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]acetic acid.
Chemical Property Profile of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide
Property Insights of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide
The XLogP value of -5.0179 indicates that alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 364.09 Ų indicates high polarity, suggesting alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-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)-, 11-oxide has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide?
The CAS number of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide is 101692-40-4.
What is the molecular formula of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide?
The molecular formula of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide is C40H55N9O15S.
What is the molecular weight of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide?
The molecular weight of alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide is 933.35 g/mol.
Where can I buy alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide?
You can request a quote for alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.