Acpacnad
TL;DR: Acpacnad (CAS 95754-68-0) is a chemical compound with molecular formula C31H48N11O19P3 and molecular weight 971.23 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)-4-[[3-(2-aminoethylamino)-3-oxopropoxy]-hydroxyphosphoryl]oxy-5-[6-[[3-(2-aminoethylamino)-3-oxopropyl]amino]purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Also Known As: Acpacnad, 2'-(O)-(N-(2-Aminoethyl)carbamoylethyl)phosphono-N(6)-(N-(2-aminoethyl)carbamoylethyl)NAD, (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-4-[[3-(2-aminoethylamino)-3-oxopropoxy]-hydroxyphosphoryl]oxy-5-[6-[[3-(2-aminoethylamino)-3-oxopropyl]amino]purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate, Adenosine 5'-(trihydrogen diphosphate), N-(3-((2-aminoethyl)amino)-3-oxopropyl)-, 2'-(3-((2-aminoethyl)amino)-3-oxopropyl hydrogen phosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt
| Molecular Formula | C31H48N11O19P3 |
|---|---|
| Molecular Weight | 971.23 g/mol |
| LogP | -12.1 |
| Topological Polar Surface Area | 453.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Exact Mass | 971.2341 |
| Heavy Atoms | 64 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 95754-68-0 |
|---|---|
| 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)NCCC(=O)NCCN)OP(=O)(O)OCCC(=O)NCCN)O)O)[O-])C(=O)N |
| InChIKey | GBXVAPUDNZDFFU-GNWATBQQSA-N |
Product Overview
Acpacnad (CAS 95754-68-0), with molecular formula C31H48N11O19P3 and molecular weight 971.23 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-4-[[3-(2-aminoethylamino)-3-oxopropoxy]-hydroxyphosphoryl]oxy-5-[6-[[3-(2-aminoethylamino)-3-oxopropyl]amino]purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate.
Chemical Property Profile of Acpacnad
Property Insights of Acpacnad
The XLogP value of -12.1 indicates that Acpacnad is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 453.0 Ų indicates high polarity, suggesting Acpacnad may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acpacnad has 11 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acpacnad?
The CAS number of Acpacnad is 95754-68-0.
What is the molecular formula of Acpacnad?
The molecular formula of Acpacnad is C31H48N11O19P3.
What is the molecular weight of Acpacnad?
The molecular weight of Acpacnad is 971.23 g/mol.
Where can I buy Acpacnad?
You can request a quote for Acpacnad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acpacnad?
Yes, KEHONG BIO provides custom synthesis services for Acpacnad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.