5-Carboxy-2-pentenoyl-CoA
TL;DR: 5-Carboxy-2-pentenoyl-CoA (CAS 138149-18-5) is a chemical compound with molecular formula C27H42N7O19P3S and molecular weight 893.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-6-[2-[3-[[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]-6-oxohex-4-enoic acid
Also Known As: 5-Carboxy-2-pentenoyl-CoA, J2.788.049E, (E)-6-[2-[3-[[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]-6-oxohex-4-enoic acid, 6-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-6-oxohex-4-enoic acid, Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(5-carboxy-2-pentenoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
| Molecular Formula | C27H42N7O19P3S |
|---|---|
| Molecular Weight | 893.15 g/mol |
| LogP | -0.9143 |
| Topological Polar Surface Area | 400.93 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Exact Mass | 893.1469 |
| Heavy Atoms | 57 |
| Complexity | 1929.2922 |
Chemical Identifiers
| CAS Number | 138149-18-5 |
|---|---|
| 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(C(=O)NCCC(=O)NCCSC(=O)/C=C/CCC(=O)O)O |
Product Overview
5-Carboxy-2-pentenoyl-CoA (CAS 138149-18-5), with molecular formula C27H42N7O19P3S and molecular weight 893.15 g/mol. IUPAC: (E)-6-[2-[3-[[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]-6-oxohex-4-enoic acid.
Chemical Property Profile of 5-Carboxy-2-pentenoyl-CoA
Property Insights of 5-Carboxy-2-pentenoyl-CoA
The XLogP value of -0.9143 indicates that 5-Carboxy-2-pentenoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 400.93 Ų indicates high polarity, suggesting 5-Carboxy-2-pentenoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Carboxy-2-pentenoyl-CoA has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Carboxy-2-pentenoyl-CoA?
The CAS number of 5-Carboxy-2-pentenoyl-CoA is 138149-18-5.
What is the molecular formula of 5-Carboxy-2-pentenoyl-CoA?
The molecular formula of 5-Carboxy-2-pentenoyl-CoA is C27H42N7O19P3S.
What is the molecular weight of 5-Carboxy-2-pentenoyl-CoA?
The molecular weight of 5-Carboxy-2-pentenoyl-CoA is 893.15 g/mol.
Where can I buy 5-Carboxy-2-pentenoyl-CoA?
You can request a quote for 5-Carboxy-2-pentenoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Carboxy-2-pentenoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 5-Carboxy-2-pentenoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.