Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide
TL;DR: Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide (CAS 90024-63-8) is a chemical compound with molecular formula C28H28N8O10 and molecular weight 636.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(4-nitroanilino)purin-9-yl]oxolan-2-yl]methyl 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
Also Known As: NAD(S), Furan,ethyldimethyl, Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide, [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(4-nitroanilino)purin-9-yl]oxolan-2-yl]methyl 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate, Adenosine, N-((phenylmethoxy)carbonyl)glycylglycyl-N-(4-nitrophenyl)-, (S)-
| Molecular Formula | C28H28N8O10 |
|---|---|
| Molecular Weight | 636.19 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 636.1928 |
| Heavy Atoms | 46 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 90024-63-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NC5=CC=C(C=C5)[N+](=O)[O-])O)O |
| InChIKey | QUXBVBLKTAPCJD-GVDONAMHSA-N |
Product Overview
Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide (CAS 90024-63-8), with molecular formula C28H28N8O10 and molecular weight 636.19 g/mol. IUPAC: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(4-nitroanilino)purin-9-yl]oxolan-2-yl]methyl 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate.
Chemical Property Profile of Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide
Property Insights of Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide. The TPSA of 245.0 Ų indicates high polarity, suggesting Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide?
The CAS number of Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide is 90024-63-8.
What is the molecular formula of Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide?
The molecular formula of Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide is C28H28N8O10.
What is the molecular weight of Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide?
The molecular weight of Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide is 636.19 g/mol.
Where can I buy Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide?
You can request a quote for Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for Adenosine 5'-(alpha-thio)diphospho-5'-ribofuranosylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.