(S)-Nadhx
TL;DR: (S)-Nadhx (CAS 116561-22-9) is a chemical compound with molecular formula C21H31N7O15P2 and molecular weight 683.14 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-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: (S)-NADHX, NADHX, (S)-NADH-hydrate, beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide, J2.756.245K
| Molecular Formula | C21H31N7O15P2 |
|---|---|
| Molecular Weight | 683.14 g/mol |
| LogP | -6.3 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 683.1353 |
| Heavy Atoms | 45 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 116561-22-9 |
|---|---|
| SMILES | C1CC(=CN([C@H]1O)[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 | IDBZKGQRLBFUFQ-VPHRTNKSSA-N |
Product Overview
(S)-Nadhx (CAS 116561-22-9), with molecular formula C21H31N7O15P2 and molecular weight 683.14 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of (S)-Nadhx
Property Insights of (S)-Nadhx
The XLogP value of -6.3 indicates that (S)-Nadhx is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 338.0 Ų indicates high polarity, suggesting (S)-Nadhx may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-Nadhx has 9 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-Nadhx?
The CAS number of (S)-Nadhx is 116561-22-9.
What is the molecular formula of (S)-Nadhx?
The molecular formula of (S)-Nadhx is C21H31N7O15P2.
What is the molecular weight of (S)-Nadhx?
The molecular weight of (S)-Nadhx is 683.14 g/mol.
Where can I buy (S)-Nadhx?
You can request a quote for (S)-Nadhx directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Nadhx?
Yes, KEHONG BIO provides custom synthesis services for (S)-Nadhx and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.