N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine
TL;DR: N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine (CAS 66478-41-9) is a chemical compound with molecular formula C30H46N12O17 and molecular weight 846.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S)-2-[[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]acetyl]amino]propanoic acid);trihydrate
Also Known As: Sid 769044, KST-1A7324, N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine, (2s)-2-{[({9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9h-purin-6-yl}amino)acetyl]amino}propanoic acid hydrate(2:3)(non-preferred name), (2S)-2-[[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]acetyl]amino]propanoic acid;trihydrate
| Molecular Formula | C30H46N12O17 |
|---|---|
| Molecular Weight | 846.31 g/mol |
| LogP | -7.5961 |
| Topological Polar Surface Area | 387.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 14 |
| Exact Mass | 846.31036 |
| Heavy Atoms | 59 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 66478-41-9 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O.C[C@@H](C(=O)O)NC(=O)CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O.O.O.O |
| InChIKey | SICHJAWIULQBCF-LGDIAKROSA-N |
Product Overview
N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine (CAS 66478-41-9), with molecular formula C30H46N12O17 and molecular weight 846.31 g/mol. IUPAC: bis((2S)-2-[[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]acetyl]amino]propanoic acid);trihydrate.
Chemical Property Profile of N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine
Property Insights of N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine
The XLogP value of -7.5961 indicates that N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 387.0 Ų indicates high polarity, suggesting N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine has 15 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 N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine?
The CAS number of N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine is 66478-41-9.
What is the molecular formula of N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine?
The molecular formula of N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine is C30H46N12O17.
What is the molecular weight of N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine?
The molecular weight of N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine is 846.31 g/mol.
Where can I buy N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine?
You can request a quote for N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(9-beta-D-Ribofuranosylpurin-6-yl)glycyl-1-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.