methoxycarbonyl-coenzyme A disulfide
TL;DR: methoxycarbonyl-coenzyme A disulfide (CAS 930-83-6) is a chemical compound with molecular formula C23H38N7O18P3S2 and molecular weight 857.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl [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]ethyldisulfanyl]formate
Also Known As: Methoxycarbonyl-coenzyme A disulfide, Methoxycarbonyl coa disulfide, Methoxycarbonyl coenzyme A disulfide, Coenzyme A, S-(O-methyl carbono(dithioperoxoate)), Methoxycarbonyl CoA disulfide; (Acyl-CoA); [M+H]+;
| Molecular Formula | C23H38N7O18P3S2 |
|---|---|
| Molecular Weight | 857.09 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 423.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Exact Mass | 857.0928 |
| Heavy Atoms | 53 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 930-83-6 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSSC(=O)OC)O |
| InChIKey | MGXAHWZPOYQYBM-UHFFFAOYSA-N |
Product Overview
methoxycarbonyl-coenzyme A disulfide (CAS 930-83-6), with molecular formula C23H38N7O18P3S2 and molecular weight 857.09 g/mol. IUPAC: methyl [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]ethyldisulfanyl]formate.
Chemical Property Profile of methoxycarbonyl-coenzyme A disulfide
Property Insights of methoxycarbonyl-coenzyme A disulfide
The XLogP value of -5.2 indicates that methoxycarbonyl-coenzyme A disulfide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 423.0 Ų indicates high polarity, suggesting methoxycarbonyl-coenzyme A disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methoxycarbonyl-coenzyme A disulfide has 9 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methoxycarbonyl-coenzyme A disulfide?
The CAS number of methoxycarbonyl-coenzyme A disulfide is 930-83-6.
What is the molecular formula of methoxycarbonyl-coenzyme A disulfide?
The molecular formula of methoxycarbonyl-coenzyme A disulfide is C23H38N7O18P3S2.
What is the molecular weight of methoxycarbonyl-coenzyme A disulfide?
The molecular weight of methoxycarbonyl-coenzyme A disulfide is 857.09 g/mol.
Where can I buy methoxycarbonyl-coenzyme A disulfide?
You can request a quote for methoxycarbonyl-coenzyme A disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methoxycarbonyl-coenzyme A disulfide?
Yes, KEHONG BIO provides custom synthesis services for methoxycarbonyl-coenzyme A disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.