alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-
TL;DR: alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- (CAS 81558-12-5) is a chemical compound with molecular formula C39H53N9O14S and molecular weight 903.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[34-butan-2-yl-8-hydroxy-13-(1-hydroxypropan-2-yl)-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-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-, 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-2-hydroxy-21-(2-hydroxy-1-methylethyl)-14-methoxy-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide, (R)-
| Molecular Formula | C39H53N9O14S |
|---|---|
| Molecular Weight | 903.34 g/mol |
| LogP | -4.3788 |
| Topological Polar Surface Area | 343.86 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 903.34326 |
| Heavy Atoms | 63 |
| Complexity | 2165.7393 |
Chemical Identifiers
| CAS Number | 81558-12-5 |
|---|---|
| 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)CO)C5=C(N3)C=C(C=C5)OC |
Product Overview
alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- (CAS 81558-12-5), with molecular formula C39H53N9O14S and molecular weight 903.34 g/mol. IUPAC: 2-[34-butan-2-yl-8-hydroxy-13-(1-hydroxypropan-2-yl)-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-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-
Property Insights of alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-
The XLogP value of -4.3788 indicates that alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 343.86 Ų indicates high polarity, suggesting alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- has 11 hydrogen bond donor(s) and 13 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-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-?
The CAS number of alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- is 81558-12-5.
What is the molecular formula of alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-?
The molecular formula of alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- is C39H53N9O14S.
What is the molecular weight of alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-?
The molecular weight of alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- is 903.34 g/mol.
Where can I buy alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-?
You can request a quote for alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- 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-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.