P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate
TL;DR: P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate (CAS 66982-99-8) is a chemical compound with molecular formula C16H27N5O21P4 and molecular weight 749.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
Also Known As: Ap(4)Glucose, KST-1A7367, P(1)-(Adenosine-5')-P(4)-(glucose-6)tetraphosphate, [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl[[[[(1r,2s,3r,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
| Molecular Formula | C16H27N5O21P4 |
|---|---|
| Molecular Weight | 749.01 g/mol |
| LogP | -9.2 |
| Topological Polar Surface Area | 413.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 17 |
| Exact Mass | 749.0149 |
| Heavy Atoms | 46 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 66982-99-8 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)N |
| InChIKey | DYLRVRDYHHGSMH-WAMDDSRMSA-N |
Product Overview
P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate (CAS 66982-99-8), with molecular formula C16H27N5O21P4 and molecular weight 749.01 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate
Property Insights of P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate
The XLogP value of -9.2 indicates that P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 413.0 Ų indicates high polarity, suggesting P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate has 11 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate?
The CAS number of P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate is 66982-99-8.
What is the molecular formula of P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate?
The molecular formula of P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate is C16H27N5O21P4.
What is the molecular weight of P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate?
The molecular weight of P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate is 749.01 g/mol.
Where can I buy P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate?
You can request a quote for P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate?
Yes, KEHONG BIO provides custom synthesis services for P(1)-(adenosine-5')-P(4)-(glucose-6)tetraphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.