Palmitoleoyl coenzyme A lithium salt
TL;DR: Palmitoleoyl coenzyme A lithium salt (CAS 18198-76-0) is a chemical compound with molecular formula C37H64N7O17P3S and molecular weight 1003.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadec-9-enethioate
Also Known As: Palmitoleoyl coenzyme A lithium salt, [5-(6-AMINOPURIN-9-YL)-2-({[(3-{[2-({2-[(9E)-HEXADEC-9-ENOYLSULFANYL]ETHYL}CARBAMOYL)ETHYL]CARBAMOYL}-3-HYDROXY-2,2-DIMETHYLPROPOXY(HYDROXY)PHOSPHORYL)OXY(HYDROXY)PHOSPHORYL]OXY}METHYL)-4-HYDROXYOXOLAN-3-YL]OXYPHOSPHONIC ACID, S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadec-9-enethioate
| Molecular Formula | C37H64N7O17P3S |
|---|---|
| Molecular Weight | 1003.33 g/mol |
| LogP | 3.922 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 32 |
| Exact Mass | 1003.3292 |
| Heavy Atoms | 65 |
| Complexity | 2007.4529 |
Chemical Identifiers
| CAS Number | 18198-76-0 |
|---|---|
| SMILES | CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Product Overview
Palmitoleoyl coenzyme A lithium salt (CAS 18198-76-0), with molecular formula C37H64N7O17P3S and molecular weight 1003.33 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadec-9-enethioate.
Chemical Property Profile of Palmitoleoyl coenzyme A lithium salt
Property Insights of Palmitoleoyl coenzyme A lithium salt
The XLogP value of 3.922 indicates that Palmitoleoyl coenzyme A lithium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 363.63 Ų indicates high polarity, suggesting Palmitoleoyl coenzyme A lithium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Palmitoleoyl coenzyme A lithium salt has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Palmitoleoyl coenzyme A lithium salt?
The CAS number of Palmitoleoyl coenzyme A lithium salt is 18198-76-0.
What is the molecular formula of Palmitoleoyl coenzyme A lithium salt?
The molecular formula of Palmitoleoyl coenzyme A lithium salt is C37H64N7O17P3S.
What is the molecular weight of Palmitoleoyl coenzyme A lithium salt?
The molecular weight of Palmitoleoyl coenzyme A lithium salt is 1003.33 g/mol.
Where can I buy Palmitoleoyl coenzyme A lithium salt?
You can request a quote for Palmitoleoyl coenzyme A lithium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Palmitoleoyl coenzyme A lithium salt?
Yes, KEHONG BIO provides custom synthesis services for Palmitoleoyl coenzyme A lithium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.