乙酰吡啶腺嘌呤二核苷酸
TL;DR: 乙酰吡啶腺嘌呤二核苷酸 (CAS 86-08-8) is a chemical compound with molecular formula C22H28N6O14P2 and molecular weight 662.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰吡啶腺嘌呤二核苷酸
[5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
Also Known As: AcPyAD, 3-Acetyl NAD, 3-Acetylpyridine NAD, 3-Acetylpyridine-DPN, (3-Acetylpyridine)AD
| Molecular Formula | C22H28N6O14P2 |
|---|---|
| Molecular Weight | 662.11 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 295.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 662.1139 |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 86-08-8 |
|---|---|
| SMILES | CC(=O)C1=C[N+](=CC=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 |
| InChIKey | KPVQNXLUPNWQHM-UHFFFAOYSA-N |
Product Overview
乙酰吡啶腺嘌呤二核苷酸 (CAS 86-08-8), with molecular formula C22H28N6O14P2 and molecular weight 662.11 g/mol. IUPAC: [5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate.
Chemical Property Profile of 乙酰吡啶腺嘌呤二核苷酸
Property Insights of 乙酰吡啶腺嘌呤二核苷酸
The XLogP value of -5.2 indicates that 乙酰吡啶腺嘌呤二核苷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 295.0 Ų indicates high polarity, suggesting 乙酰吡啶腺嘌呤二核苷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乙酰吡啶腺嘌呤二核苷酸 has 6 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 乙酰吡啶腺嘌呤二核苷酸?
The CAS number of 乙酰吡啶腺嘌呤二核苷酸 is 86-08-8.
What is the molecular formula of 乙酰吡啶腺嘌呤二核苷酸?
The molecular formula of 乙酰吡啶腺嘌呤二核苷酸 is C22H28N6O14P2.
What is the molecular weight of 乙酰吡啶腺嘌呤二核苷酸?
The molecular weight of 乙酰吡啶腺嘌呤二核苷酸 is 662.11 g/mol.
Where can I buy 乙酰吡啶腺嘌呤二核苷酸?
You can request a quote for 乙酰吡啶腺嘌呤二核苷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰吡啶腺嘌呤二核苷酸?
Yes, KEHONG BIO provides custom synthesis services for 乙酰吡啶腺嘌呤二核苷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.