(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA
TL;DR: (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA (CAS 1245946-20-6) is a chemical compound with molecular formula C31H50N7O18P3S and molecular weight 933.2146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[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]ethyl] (3R)-6-oxo-3-prop-1-en-2-ylheptanethioate
Also Known As: (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA, (3R)-3-isopropenyl-6-oxoenanthoyl-CoA, (3R)-3-isopropenyl-6-oxoenanthoyl-coenzyme A, (3R)-3-isopropenyl-6-oxoheptanoyl-coenzyme A, c0678
Technical Specifications
| Molecular Formula | C31H50N7O18P3S |
| Molecular Weight | 933.2146 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 406.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 26 |
| Exact Mass | 933.2146 Da |
| Heavy Atoms | 60 |
| Complexity | 1680.0 |
| SMILES | CC(=C)[C@H](CCC(=O)C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O |
| InChIKey | VMTHAXKUEKKCEY-PDQACDDGSA-N |
Chemical Property Profile of (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA
Property Insights of (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA
The XLogP value of -4.2 indicates that (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 406.0 Ų indicates high polarity, suggesting (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA has 9 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 (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA?
The CAS number of (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA is 1245946-20-6.
What is the molecular formula of (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA?
The molecular formula of (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA is C31H50N7O18P3S.
What is the molecular weight of (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA?
The molecular weight of (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA is 933.2146 g/mol.
Where can I buy (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA?
You can request a quote for (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA?
Yes, CoreyChem provides custom synthesis services for (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.