3'-O-(Naphthoyl-1)adenosine diphosphate
TL;DR: 3'-O-(Naphthoyl-1)adenosine diphosphate (CAS 7399-13-5) is a chemical compound with molecular formula C21H21N5O11P2 and molecular weight 581.07 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)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
Also Known As: 3-NP-ADP, 3'-O-(Naphthoyl-1)adenosine diphosphate, 3'-o-(naphthalen-1-ylcarbonyl)adenosine 5'-(trihydrogen diphosphate), Adenosine 5'-(trihydrogen diphosphate), 3'-(1-naphthalenecarboxylate), [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
| Molecular Formula | C21H21N5O11P2 |
|---|---|
| Molecular Weight | 581.07 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 581.0713 |
| Heavy Atoms | 39 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 7399-13-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)O |
| InChIKey | YCSLKNYVZVBVQF-WVSUBDOOSA-N |
Product Overview
3'-O-(Naphthoyl-1)adenosine diphosphate (CAS 7399-13-5), with molecular formula C21H21N5O11P2 and molecular weight 581.07 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate.
Chemical Property Profile of 3'-O-(Naphthoyl-1)adenosine diphosphate
Property Insights of 3'-O-(Naphthoyl-1)adenosine diphosphate
The XLogP value of -1.1 indicates that 3'-O-(Naphthoyl-1)adenosine diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting 3'-O-(Naphthoyl-1)adenosine diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-O-(Naphthoyl-1)adenosine diphosphate has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-O-(Naphthoyl-1)adenosine diphosphate?
The CAS number of 3'-O-(Naphthoyl-1)adenosine diphosphate is 7399-13-5.
What is the molecular formula of 3'-O-(Naphthoyl-1)adenosine diphosphate?
The molecular formula of 3'-O-(Naphthoyl-1)adenosine diphosphate is C21H21N5O11P2.
What is the molecular weight of 3'-O-(Naphthoyl-1)adenosine diphosphate?
The molecular weight of 3'-O-(Naphthoyl-1)adenosine diphosphate is 581.07 g/mol.
Where can I buy 3'-O-(Naphthoyl-1)adenosine diphosphate?
You can request a quote for 3'-O-(Naphthoyl-1)adenosine diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-(Naphthoyl-1)adenosine diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-(Naphthoyl-1)adenosine diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.