3-氨基吡啶腺嘌呤二核苷酸磷酸
TL;DR: 3-氨基吡啶腺嘌呤二核苷酸磷酸 (CAS 54758-28-0) is a chemical compound with molecular formula C20H28N7O16P3 and molecular weight 715.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基吡啶腺嘌呤二核苷酸磷酸
(2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Also Known As: 3-Aminopyridine adenine dinucleotide phosphate, (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate, 5'-(Trihydrogen diphosphate) 2'-(dihydrogen phosphate), 5'-5'-ester with 3-amino-1-beta-D-ribofuranosylpyridinium, hydroxide, inner salt, (2R,3R,4S,5R)-5-({[{[(2R,3R,4R,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
| Molecular Formula | C20H28N7O16P3 |
|---|---|
| Molecular Weight | 715.08 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 351.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 715.08057 |
| Heavy Atoms | 46 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 54758-28-0 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)O)O)O)[O-])N |
| InChIKey | BAXCQRTXEORKEF-HISDBWNOSA-N |
Product Overview
3-氨基吡啶腺嘌呤二核苷酸磷酸 (CAS 54758-28-0), with molecular formula C20H28N7O16P3 and molecular weight 715.08 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate.
Chemical Property Profile of 3-氨基吡啶腺嘌呤二核苷酸磷酸
Property Insights of 3-氨基吡啶腺嘌呤二核苷酸磷酸
The XLogP value of -5.5 indicates that 3-氨基吡啶腺嘌呤二核苷酸磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 351.0 Ų indicates high polarity, suggesting 3-氨基吡啶腺嘌呤二核苷酸磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-氨基吡啶腺嘌呤二核苷酸磷酸 has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-氨基吡啶腺嘌呤二核苷酸磷酸?
The CAS number of 3-氨基吡啶腺嘌呤二核苷酸磷酸 is 54758-28-0.
What is the molecular formula of 3-氨基吡啶腺嘌呤二核苷酸磷酸?
The molecular formula of 3-氨基吡啶腺嘌呤二核苷酸磷酸 is C20H28N7O16P3.
What is the molecular weight of 3-氨基吡啶腺嘌呤二核苷酸磷酸?
The molecular weight of 3-氨基吡啶腺嘌呤二核苷酸磷酸 is 715.08 g/mol.
Where can I buy 3-氨基吡啶腺嘌呤二核苷酸磷酸?
You can request a quote for 3-氨基吡啶腺嘌呤二核苷酸磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基吡啶腺嘌呤二核苷酸磷酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基吡啶腺嘌呤二核苷酸磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.