Aspergillomarasmine A
TL;DR: Aspergillomarasmine A (CAS 3484-65-9) is a chemical compound with molecular formula C10H17N3O8 and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2R)-2-[[(2R)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid
Also Known As: Aspergillomarasmine A, Toxin C (Pyrenophora teres), toxin C, Pyrenophora teres, (R-(R*,R*))-N-(2-((2-Amino-2-carboxyethyl)amino)-2-carboxyethyl)-L-aspartic acid, 2-((2-((2-AMINO-2-CARBOXYETHYL)AMINO)-2-CARBOXYETHYL)AMINO)BUTANEDIOIC ACID
| Molecular Formula | C10H17N3O8 |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | -10.0 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 307.10156 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 3484-65-9 |
|---|---|
| SMILES | C([C@@H](C(=O)O)NC[C@H](C(=O)O)NC[C@H](C(=O)O)N)C(=O)O |
| InChIKey | XFTWUNOVBCHBJR-NGJCXOISSA-N |
Product Overview
Aspergillomarasmine A (CAS 3484-65-9), with molecular formula C10H17N3O8 and molecular weight 307.10 g/mol. IUPAC: (2S)-2-[[(2R)-2-[[(2R)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid.
Chemical Property Profile of Aspergillomarasmine A
Property Insights of Aspergillomarasmine A
The XLogP value of -10.0 indicates that Aspergillomarasmine A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting Aspergillomarasmine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspergillomarasmine A has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aspergillomarasmine A?
The CAS number of Aspergillomarasmine A is 3484-65-9.
What is the molecular formula of Aspergillomarasmine A?
The molecular formula of Aspergillomarasmine A is C10H17N3O8.
What is the molecular weight of Aspergillomarasmine A?
The molecular weight of Aspergillomarasmine A is 307.10 g/mol.
Where can I buy Aspergillomarasmine A?
You can request a quote for Aspergillomarasmine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspergillomarasmine A?
Yes, KEHONG BIO provides custom synthesis services for Aspergillomarasmine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.