结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯
TL;DR: 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 (CAS 78679-20-6) is a chemical compound with molecular formula C46H82N4O14P2 and molecular weight 976.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯
[(2R)-3-[[[(2R,3S,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Also Known As: Tudp-dipalmitin, Tubercidin 5'-diphosphate-5'-1,2-dipalmitin, [(2R)-3-[[[(2R,3S,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate, 7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(5-O-(1,3-dihydroxy-6-((1-oxohexadecyl)oxy)-9-oxo-2,4,8-trioxa-1,3-diphosphatetracos-1-yl)-beta-D-arabinofuranosyl)-, P,P'-dioxide, (R)-, (2R)-3-(((((((2R,3S,4S,5R)-5-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate
| Molecular Formula | C46H82N4O14P2 |
|---|---|
| Molecular Weight | 976.53 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 261.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 42 |
| Exact Mass | 976.5303 |
| Heavy Atoms | 66 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 78679-20-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC3=C(N=CN=C32)N)O)O)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | QYRBORBXERREBG-DNCZDIPLSA-N |
Product Overview
结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 (CAS 78679-20-6), with molecular formula C46H82N4O14P2 and molecular weight 976.53 g/mol. IUPAC: [(2R)-3-[[[(2R,3S,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate.
Chemical Property Profile of 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯
Property Insights of 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯
The XLogP value of 11.0 indicates that 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 261.0 Ų indicates high polarity, suggesting 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯?
The CAS number of 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 is 78679-20-6.
What is the molecular formula of 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯?
The molecular formula of 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 is C46H82N4O14P2.
What is the molecular weight of 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯?
The molecular weight of 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 is 976.53 g/mol.
Where can I buy 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯?
You can request a quote for 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯?
Yes, KEHONG BIO provides custom synthesis services for 结核菌素5'-二磷酸-5'-1,2-二棕榈酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.