Adenylophosphonopropionate
TL;DR: Adenylophosphonopropionate (CAS 77229-68-6) is a chemical compound with molecular formula C13H19N5O12P2 and molecular weight 499.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-3-phosphonopropanoic acid
Also Known As: Adenylophosphonopropionate, KST-1A8169, N(6)(Dl-1-Carboxy-2-phosphonethyl)adenosine 5'-monophosphate, (2r)-2-[(9-{(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9h-purin-6-yl)amino]-3-phosphonopropanoic acid(non-preferred name), DL-Alanine, 3-phosphono-N-(9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)-
| Molecular Formula | C13H19N5O12P2 |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.05054 |
| Heavy Atoms | 32 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 77229-68-6 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CP(=O)(O)O)C(=O)O |
| InChIKey | FGKAJDFZKDATMR-MACXSXHHSA-N |
Product Overview
Adenylophosphonopropionate (CAS 77229-68-6), with molecular formula C13H19N5O12P2 and molecular weight 499.05 g/mol. IUPAC: (2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-3-phosphonopropanoic acid.
Chemical Property Profile of Adenylophosphonopropionate
Property Insights of Adenylophosphonopropionate
The XLogP value of -4.5 indicates that Adenylophosphonopropionate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 267.0 Ų indicates high polarity, suggesting Adenylophosphonopropionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenylophosphonopropionate has 8 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 Adenylophosphonopropionate?
The CAS number of Adenylophosphonopropionate is 77229-68-6.
What is the molecular formula of Adenylophosphonopropionate?
The molecular formula of Adenylophosphonopropionate is C13H19N5O12P2.
What is the molecular weight of Adenylophosphonopropionate?
The molecular weight of Adenylophosphonopropionate is 499.05 g/mol.
Where can I buy Adenylophosphonopropionate?
You can request a quote for Adenylophosphonopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenylophosphonopropionate?
Yes, KEHONG BIO provides custom synthesis services for Adenylophosphonopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.