Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)
TL;DR: Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) (CAS 111769-66-5) is a chemical compound with molecular formula C26H42N7O20P3S and molecular weight 897.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-hydroxy-5-oxopentanoic acid
Also Known As: 2-Hydroxyglutaryl-1-coa, 2-Hydroxyglutaryl-1-coenzyme A, (R)-2-hydroxyglutaryl-CoA, (R)-2-hydroxyglutaryl-coenzyme A, (4R)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-hydroxy-5-oxopentanoic acid
| Molecular Formula | C26H42N7O20P3S |
|---|---|
| Molecular Weight | 897.14 g/mol |
| LogP | -2.1096 |
| Topological Polar Surface Area | 421.16 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Exact Mass | 897.14185 |
| Heavy Atoms | 57 |
| Complexity | 1899.6998 |
Chemical Identifiers
| CAS Number | 111769-66-5 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H](CCC(=O)O)O)O |
Product Overview
Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) (CAS 111769-66-5), with molecular formula C26H42N7O20P3S and molecular weight 897.14 g/mol. IUPAC: (4R)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-hydroxy-5-oxopentanoic acid.
Chemical Property Profile of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)
Property Insights of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)
The XLogP value of -2.1096 indicates that Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 421.16 Ų indicates high polarity, suggesting Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) has 11 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
The CAS number of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is 111769-66-5.
What is the molecular formula of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
The molecular formula of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is C26H42N7O20P3S.
What is the molecular weight of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
The molecular weight of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is 897.14 g/mol.
Where can I buy Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
You can request a quote for Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
Yes, KEHONG BIO provides custom synthesis services for Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.