Ara-tubercidin 5'-triphosphate
TL;DR: Ara-tubercidin 5'-triphosphate (CAS 78153-66-9) is a chemical compound with molecular formula C11H17N4O13P3 and molecular weight 506.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Ara-tubercidin 5'-triphosphate, Tubercidin 5'-triphosphate, [[(2R,3S,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 7-(5-O-(Hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phophinyl)-beta-D-arabinofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine, [(2r,3s,4s,5r)-5-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
| Molecular Formula | C11H17N4O13P3 |
|---|---|
| Molecular Weight | 506.00 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 266.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.0005 |
| Heavy Atoms | 31 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 78153-66-9 |
|---|---|
| SMILES | C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O |
| InChIKey | GVVRDIINMFAFEO-HGIWHZBTSA-N |
Product Overview
Ara-tubercidin 5'-triphosphate (CAS 78153-66-9), with molecular formula C11H17N4O13P3 and molecular weight 506.00 g/mol. IUPAC: [[(2R,3S,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of Ara-tubercidin 5'-triphosphate
Property Insights of Ara-tubercidin 5'-triphosphate
The XLogP value of -5.2 indicates that Ara-tubercidin 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.0 Ų indicates high polarity, suggesting Ara-tubercidin 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ara-tubercidin 5'-triphosphate has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ara-tubercidin 5'-triphosphate?
The CAS number of Ara-tubercidin 5'-triphosphate is 78153-66-9.
What is the molecular formula of Ara-tubercidin 5'-triphosphate?
The molecular formula of Ara-tubercidin 5'-triphosphate is C11H17N4O13P3.
What is the molecular weight of Ara-tubercidin 5'-triphosphate?
The molecular weight of Ara-tubercidin 5'-triphosphate is 506.00 g/mol.
Where can I buy Ara-tubercidin 5'-triphosphate?
You can request a quote for Ara-tubercidin 5'-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ara-tubercidin 5'-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for Ara-tubercidin 5'-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.