3-Pyridinealdehyde adenine dinucleotide
TL;DR: 3-Pyridinealdehyde adenine dinucleotide (CAS 86-07-7) is a chemical compound with molecular formula C21H27N6O14P2+ and molecular weight 649.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-formylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: 3-Pyridinealdehyde-NAD, 3-Pyridine aldehyde-DPN, Pyridine 3-aldehyde NAD, 3-Pyridinealdehyde nad, (Pyridine-3-aldehyde)AD
| Molecular Formula | C21H27N6O14P2+ |
|---|---|
| Molecular Weight | 649.11 g/mol |
| LogP | -5.3 |
| Topological Polar Surface Area | 292.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 649.106 |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 86-07-7 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C=O |
| InChIKey | SZBYQPGZRAWXKJ-UHFFFAOYSA-O |
Product Overview
3-Pyridinealdehyde adenine dinucleotide (CAS 86-07-7), with molecular formula C21H27N6O14P2+ and molecular weight 649.11 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-formylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of 3-Pyridinealdehyde adenine dinucleotide
Property Insights of 3-Pyridinealdehyde adenine dinucleotide
The XLogP value of -5.3 indicates that 3-Pyridinealdehyde adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 292.0 Ų indicates high polarity, suggesting 3-Pyridinealdehyde adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Pyridinealdehyde adenine dinucleotide has 7 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinealdehyde adenine dinucleotide?
The CAS number of 3-Pyridinealdehyde adenine dinucleotide is 86-07-7.
What is the molecular formula of 3-Pyridinealdehyde adenine dinucleotide?
The molecular formula of 3-Pyridinealdehyde adenine dinucleotide is C21H27N6O14P2+.
What is the molecular weight of 3-Pyridinealdehyde adenine dinucleotide?
The molecular weight of 3-Pyridinealdehyde adenine dinucleotide is 649.11 g/mol.
Where can I buy 3-Pyridinealdehyde adenine dinucleotide?
You can request a quote for 3-Pyridinealdehyde adenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinealdehyde adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinealdehyde adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.