c0885
TL;DR: c0885 (CAS 1245945-94-1) is a chemical compound with molecular formula C31H50N7O17P3S and molecular weight 917.21967 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] (E)-2,6-dimethyl-5-methylidenehept-2-enethioate
Also Known As: c0885, trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA, cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA; (Acyl-CoA); [M+H]+;
Technical Specifications
| Molecular Formula | C31H50N7O17P3S |
| Molecular Weight | 917.21967 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 24 |
| Exact Mass | 917.21967 Da |
| Heavy Atoms | 59 |
| Complexity | 1670.0 |
| SMILES | CC(C)C(=C)C/C=C(\C)/C(=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 | MPYXOYHSKAAPLW-AVJOVGNRSA-N |
Chemical Property Profile of c0885
Property Insights of c0885
The XLogP value of -2.4 indicates that c0885 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting c0885 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, c0885 has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of c0885?
The CAS number of c0885 is 1245945-94-1.
What is the molecular formula of c0885?
The molecular formula of c0885 is C31H50N7O17P3S.
What is the molecular weight of c0885?
The molecular weight of c0885 is 917.21967 g/mol.
Where can I buy c0885?
You can request a quote for c0885 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for c0885?
Yes, CoreyChem provides custom synthesis services for c0885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.