Nadide (JAN/USAN/INN)
TL;DR: Nadide (JAN/USAN/INN) (CAS 151411-04-0) is a chemical compound with molecular formula C21H28N7O14P2+ and molecular weight 664.12 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,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: nadide, Enzopride, Codehydrase I, coenzyme I, beta-NAD
| Molecular Formula | C21H28N7O14P2+ |
|---|---|
| Molecular Weight | 664.12 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 318.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 664.11694 |
| Heavy Atoms | 44 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 151411-04-0 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[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)C(=O)N |
| InChIKey | BAWFJGJZGIEFAR-NNYOXOHSSA-O |
Product Overview
Nadide (JAN/USAN/INN) (CAS 151411-04-0), with molecular formula C21H28N7O14P2+ and molecular weight 664.12 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of Nadide (JAN/USAN/INN)
Property Insights of Nadide (JAN/USAN/INN)
The XLogP value of -5.9 indicates that Nadide (JAN/USAN/INN) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 318.0 Ų indicates high polarity, suggesting Nadide (JAN/USAN/INN) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nadide (JAN/USAN/INN) has 8 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 Nadide (JAN/USAN/INN)?
The CAS number of Nadide (JAN/USAN/INN) is 151411-04-0.
What is the molecular formula of Nadide (JAN/USAN/INN)?
The molecular formula of Nadide (JAN/USAN/INN) is C21H28N7O14P2+.
What is the molecular weight of Nadide (JAN/USAN/INN)?
The molecular weight of Nadide (JAN/USAN/INN) is 664.12 g/mol.
Where can I buy Nadide (JAN/USAN/INN)?
You can request a quote for Nadide (JAN/USAN/INN) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nadide (JAN/USAN/INN)?
Yes, KEHONG BIO provides custom synthesis services for Nadide (JAN/USAN/INN) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.