5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide
TL;DR: 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide (CAS 55069-02-8) is a chemical compound with molecular formula C21H27N7O14P2 and molecular weight 663.11 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] [(2R,3S,4R,5S)-5-(6-carbamoyl-2-pyridinyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: Fenugreekine, CPAD, 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE, PAD, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-carbamoylpyridin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
| Molecular Formula | C21H27N7O14P2 |
|---|---|
| Molecular Weight | 663.11 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 327.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 663.10913 |
| Heavy Atoms | 44 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 55069-02-8 |
|---|---|
| SMILES | C1=CC(=NC(=C1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O |
| InChIKey | LFERELMXERXKKQ-KMXXXSRASA-N |
Product Overview
5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide (CAS 55069-02-8), with molecular formula C21H27N7O14P2 and molecular weight 663.11 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-carbamoyl-2-pyridinyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide
Property Insights of 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide
The XLogP value of -5.9 indicates that 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 327.0 Ų indicates high polarity, suggesting 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide has 8 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide?
The CAS number of 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide is 55069-02-8.
What is the molecular formula of 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide?
The molecular formula of 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide is C21H27N7O14P2.
What is the molecular weight of 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide?
The molecular weight of 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide is 663.11 g/mol.
Where can I buy 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide?
You can request a quote for 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5'-Ester With 1,4-Dihydro-1-Beta-D-Ribofuranosyl-2-Pyridinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.