citryl-CoA
TL;DR: citryl-CoA (CAS 3131-26-8) is a chemical compound with molecular formula C27H42N7O22P3S and molecular weight 941.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[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]ethylsulfanyl]-2-oxoethyl]-2-hydroxybutanedioic acid
Also Known As: Citryl-coa, Citryl-coenzyme A, (3S)-Citryl-CoA, Coenzyme A, citryl-, Coenzyme A, S-(2,3-dihydrogen 2-hydroxy-1,2,3-propanetricarboxylate)
| Molecular Formula | C27H42N7O22P3S |
|---|---|
| Molecular Weight | 941.13 g/mol |
| LogP | -2.6548 |
| Topological Polar Surface Area | 458.46 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 24 |
| Exact Mass | 941.13165 |
| Heavy Atoms | 60 |
| Complexity | 2053.622 |
Chemical Identifiers
| CAS Number | 3131-26-8 |
|---|---|
| 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)NCCSC(=O)CC(CC(=O)O)(C(=O)O)O)O |
Product Overview
citryl-CoA (CAS 3131-26-8), with molecular formula C27H42N7O22P3S and molecular weight 941.13 g/mol. IUPAC: 2-[2-[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]ethylsulfanyl]-2-oxoethyl]-2-hydroxybutanedioic acid.
Chemical Property Profile of citryl-CoA
Property Insights of citryl-CoA
The XLogP value of -2.6548 indicates that citryl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 458.46 Ų indicates high polarity, suggesting citryl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, citryl-CoA has 12 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of citryl-CoA?
The CAS number of citryl-CoA is 3131-26-8.
What is the molecular formula of citryl-CoA?
The molecular formula of citryl-CoA is C27H42N7O22P3S.
What is the molecular weight of citryl-CoA?
The molecular weight of citryl-CoA is 941.13 g/mol.
Where can I buy citryl-CoA?
You can request a quote for citryl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for citryl-CoA?
Yes, KEHONG BIO provides custom synthesis services for citryl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.