3-Hydroxypropionyl-CoA
TL;DR: 3-Hydroxypropionyl-CoA (CAS 157786-88-4) is a chemical compound with molecular formula C24H40N7O18P3S and molecular weight 839.13635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[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]ethyl] 3-hydroxypropanethioate
Also Known As: 3-Hydroxypropionyl-CoA, 3-Hydroxypropanoyl-CoA, beta-Hydroxypropionyl-CoA, 3-Hydroxypropionyl coenzyme A, 3-Hydroxypropanoyl coenzymeA
Technical Specifications
| Molecular Formula | C24H40N7O18P3S |
| Molecular Weight | 839.13635 g/mol |
| XLogP | -6.4 |
| Topological Polar Surface Area (TPSA) | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Exact Mass | 839.13635 Da |
| Heavy Atoms | 53 |
| Complexity | 1420.0 |
| 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)CCO)O |
| InChIKey | BERBFZCUSMQABM-UXYNFSPESA-N |
Chemical Property Profile of 3-Hydroxypropionyl-CoA
Property Insights of 3-Hydroxypropionyl-CoA
The XLogP value of -6.4 indicates that 3-Hydroxypropionyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.0 Ų indicates high polarity, suggesting 3-Hydroxypropionyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxypropionyl-CoA has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Hydroxypropionyl-CoA?
The CAS number of 3-Hydroxypropionyl-CoA is 157786-88-4.
What is the molecular formula of 3-Hydroxypropionyl-CoA?
The molecular formula of 3-Hydroxypropionyl-CoA is C24H40N7O18P3S.
What is the molecular weight of 3-Hydroxypropionyl-CoA?
The molecular weight of 3-Hydroxypropionyl-CoA is 839.13635 g/mol.
Where can I buy 3-Hydroxypropionyl-CoA?
You can request a quote for 3-Hydroxypropionyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxypropionyl-CoA?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxypropionyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.