C33H58N7O17P3S
TL;DR: C33H58N7O17P3S (CAS 6244-92-4) is a chemical compound with molecular formula C33H58N7O17P3S and molecular weight 949.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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] dodecanethioate
Also Known As: Dodecanoyl-coa, Lauroyl coenzyme A, Lauroyl-coa, Dodecanoyl CoA, Lauroyl-coenzyme A
| Molecular Formula | C33H58N7O17P3S |
|---|---|
| Molecular Weight | 949.28 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 30 |
| Exact Mass | 949.2823 |
| Heavy Atoms | 61 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 6244-92-4 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(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 | YMCXGHLSVALICC-IIZVUBDFSA-N |
Product Overview
C33H58N7O17P3S (CAS 6244-92-4), with molecular formula C33H58N7O17P3S and molecular weight 949.28 g/mol. IUPAC: 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] dodecanethioate.
Chemical Property Profile of C33H58N7O17P3S
Property Insights of C33H58N7O17P3S
The XLogP value of -0.5 indicates that C33H58N7O17P3S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting C33H58N7O17P3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C33H58N7O17P3S has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C33H58N7O17P3S?
The CAS number of C33H58N7O17P3S is 6244-92-4.
What is the molecular formula of C33H58N7O17P3S?
The molecular formula of C33H58N7O17P3S is C33H58N7O17P3S.
What is the molecular weight of C33H58N7O17P3S?
The molecular weight of C33H58N7O17P3S is 949.28 g/mol.
Where can I buy C33H58N7O17P3S?
You can request a quote for C33H58N7O17P3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C33H58N7O17P3S?
Yes, KEHONG BIO provides custom synthesis services for C33H58N7O17P3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.