Valyl adenylate
TL;DR: Valyl adenylate (CAS 5552-44-3) is a chemical compound with molecular formula C15H23N6O8P and molecular weight 446.13 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] (2S)-2-amino-3-methylbutanoate
Also Known As: Valyl adenylate, valyladenylate, valinyl adenylate, Val-O-AMP, starbld0035899
| Molecular Formula | C15H23N6O8P |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.1315 |
| Heavy Atoms | 30 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 5552-44-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)N |
| InChIKey | KAVINRUMCQFLGF-NIXGFCADSA-N |
Product Overview
Valyl adenylate (CAS 5552-44-3), with molecular formula C15H23N6O8P and molecular weight 446.13 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-methylbutanoate.
Chemical Property Profile of Valyl adenylate
Property Insights of Valyl adenylate
The XLogP value of -4.8 indicates that Valyl adenylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting Valyl adenylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Valyl adenylate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Valyl adenylate?
The CAS number of Valyl adenylate is 5552-44-3.
What is the molecular formula of Valyl adenylate?
The molecular formula of Valyl adenylate is C15H23N6O8P.
What is the molecular weight of Valyl adenylate?
The molecular weight of Valyl adenylate is 446.13 g/mol.
Where can I buy Valyl adenylate?
You can request a quote for Valyl adenylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valyl adenylate?
Yes, KEHONG BIO provides custom synthesis services for Valyl adenylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.