Thio-NADP
TL;DR: Thio-NADP (CAS 19254-05-8) is a chemical compound with molecular formula C21H28N7O16P3S and molecular weight 759.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Also Known As: Thio-NADP, Thionicotinamide adenine dinucleotide phosphate, (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate, Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridinium inner salt, ADENOSINE 5/'-(TRIHYDROGEN DIPHOSATE), 2/'-(SODIUM HYDROGEN PHOSPHATE), P/',5/'-ESTER WITH 3-(AMINOT
| Molecular Formula | C21H28N7O16P3S |
|---|---|
| Molecular Weight | 759.05 g/mol |
| LogP | -2.9956 |
| Topological Polar Surface Area | 350.55 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 759.0526 |
| Heavy Atoms | 48 |
| Complexity | 1815.5599 |
Chemical Identifiers
| CAS Number | 19254-05-8 |
|---|---|
| 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)OP(=O)(O)O)O)O)[O-])C(=S)N |
Product Overview
Thio-NADP (CAS 19254-05-8), with molecular formula C21H28N7O16P3S and molecular weight 759.05 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate.
Chemical Property Profile of Thio-NADP
Property Insights of Thio-NADP
The XLogP value of -2.9956 indicates that Thio-NADP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 350.55 Ų indicates high polarity, suggesting Thio-NADP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thio-NADP has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thio-NADP?
The CAS number of Thio-NADP is 19254-05-8.
What is the molecular formula of Thio-NADP?
The molecular formula of Thio-NADP is C21H28N7O16P3S.
What is the molecular weight of Thio-NADP?
The molecular weight of Thio-NADP is 759.05 g/mol.
Where can I buy Thio-NADP?
You can request a quote for Thio-NADP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thio-NADP?
Yes, KEHONG BIO provides custom synthesis services for Thio-NADP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.