Shurimycin A
TL;DR: Shurimycin A (CAS 143906-47-2) is a chemical compound with molecular formula C56H95N3O17 and molecular weight 1081.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(10E,12E,18Z,20E)-5,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
Also Known As: Shurimycin A, 3-[[(10E,12E,18Z,20E)-5,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
| Molecular Formula | C56H95N3O17 |
|---|---|
| Molecular Weight | 1081.67 g/mol |
| LogP | 3.2269 |
| Topological Polar Surface Area | 351.84 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 1081.6661 |
| Heavy Atoms | 76 |
| Complexity | 1912.094 |
Chemical Identifiers
| CAS Number | 143906-47-2 |
|---|---|
| SMILES | CC1CCC(C(C(CC(C(/C=C/C=C\C(=O)OC(C(/C=C/C=C(/C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)\C)C)C(C)CCC/C=C/CCCNC(=NC)N)C)O)O)C)O |
Product Overview
Shurimycin A (CAS 143906-47-2), with molecular formula C56H95N3O17 and molecular weight 1081.67 g/mol. IUPAC: 3-[[(10E,12E,18Z,20E)-5,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid.
Chemical Property Profile of Shurimycin A
Property Insights of Shurimycin A
The XLogP value of 3.2269 indicates that Shurimycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 351.84 Ų indicates high polarity, suggesting Shurimycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Shurimycin A has 13 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Shurimycin A?
The CAS number of Shurimycin A is 143906-47-2.
What is the molecular formula of Shurimycin A?
The molecular formula of Shurimycin A is C56H95N3O17.
What is the molecular weight of Shurimycin A?
The molecular weight of Shurimycin A is 1081.67 g/mol.
Where can I buy Shurimycin A?
You can request a quote for Shurimycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shurimycin A?
Yes, KEHONG BIO provides custom synthesis services for Shurimycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.