烟酰胺腺嘌呤二核苷酸
TL;DR: 烟酰胺腺嘌呤二核苷酸 (CAS 53-84-9) 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.
烟酰胺腺嘌呤二核苷酸
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Also Known As: nadide, Endopride, Enzopride, beta-DPN, beta-NAD
| Molecular Formula | C21H27N7O14P2 |
|---|---|
| Molecular Weight | 663.11 g/mol |
| LogP | -6.0 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 663.10913 |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 53-84-9 |
|---|---|
| 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)N |
| InChIKey | BAWFJGJZGIEFAR-UHFFFAOYSA-N |
Product Overview
烟酰胺腺嘌呤二核苷酸 (CAS 53-84-9), with molecular formula C21H27N7O14P2 and molecular weight 663.11 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate.
Chemical Property Profile of 烟酰胺腺嘌呤二核苷酸
Property Insights of 烟酰胺腺嘌呤二核苷酸
The XLogP value of -6.0 indicates that 烟酰胺腺嘌呤二核苷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 321.0 Ų indicates high polarity, suggesting 烟酰胺腺嘌呤二核苷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 烟酰胺腺嘌呤二核苷酸 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 烟酰胺腺嘌呤二核苷酸?
The CAS number of 烟酰胺腺嘌呤二核苷酸 is 53-84-9.
What is the molecular formula of 烟酰胺腺嘌呤二核苷酸?
The molecular formula of 烟酰胺腺嘌呤二核苷酸 is C21H27N7O14P2.
What is the molecular weight of 烟酰胺腺嘌呤二核苷酸?
The molecular weight of 烟酰胺腺嘌呤二核苷酸 is 663.11 g/mol.
Where can I buy 烟酰胺腺嘌呤二核苷酸?
You can request a quote for 烟酰胺腺嘌呤二核苷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酰胺腺嘌呤二核苷酸?
Yes, KEHONG BIO provides custom synthesis services for 烟酰胺腺嘌呤二核苷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.