9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin
TL;DR: 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin (CAS 78679-19-3) is a chemical compound with molecular formula C45H81N5O14P2 and molecular weight 977.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-[[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Also Known As: Ara-ADP-dipalmitin, 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin, [(2R)-3-[[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate, 9beta-D-arabinofuranosyladenine5'-diphosphate-5'-1,2-dipalmitin, 9-{5-O-[({[(2R)-2,3-Bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
| Molecular Formula | C45H81N5O14P2 |
|---|---|
| Molecular Weight | 977.53 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 274.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 42 |
| Exact Mass | 977.5255 |
| Heavy Atoms | 66 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 78679-19-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](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)O)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | UYKVHYLXQFWVIJ-MFNXJSCDSA-N |
Product Overview
9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin (CAS 78679-19-3), with molecular formula C45H81N5O14P2 and molecular weight 977.53 g/mol. IUPAC: [(2R)-3-[[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate.
Chemical Property Profile of 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin
Property Insights of 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin
The XLogP value of 10.4 indicates that 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 274.0 Ų indicates high polarity, suggesting 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin?
The CAS number of 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin is 78679-19-3.
What is the molecular formula of 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin?
The molecular formula of 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin is C45H81N5O14P2.
What is the molecular weight of 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin?
The molecular weight of 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin is 977.53 g/mol.
Where can I buy 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin?
You can request a quote for 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin?
Yes, KEHONG BIO provides custom synthesis services for 9beta-D-Arabinofuranosyladenine 5'-diphosphate-5'-1,2-dipalmitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.