菸酸腺嘌呤二核苷酸磷酸
TL;DR: 菸酸腺嘌呤二核苷酸磷酸 (CAS 119299-06-8) is a chemical compound with molecular formula C21H28N6O18P3+ and molecular weight 745.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
菸酸腺嘌呤二核苷酸磷酸
1-[(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]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid
Also Known As: NAADP, NAADP+, beta-NAADP, NAADP tetrasodium salt, NAADP(1+)
| Molecular Formula | C21H28N6O18P3+ |
|---|---|
| Molecular Weight | 745.07 g/mol |
| LogP | -6.4 |
| Topological Polar Surface Area | 359.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 745.0673 |
| Heavy Atoms | 48 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 119299-06-8 |
|---|---|
| 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(=O)O |
| InChIKey | QOTXBMGJKFVZRD-HISDBWNOSA-O |
Product Overview
菸酸腺嘌呤二核苷酸磷酸 (CAS 119299-06-8), with molecular formula C21H28N6O18P3+ and molecular weight 745.07 g/mol. IUPAC: 1-[(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]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid.
Chemical Property Profile of 菸酸腺嘌呤二核苷酸磷酸
Property Insights of 菸酸腺嘌呤二核苷酸磷酸
The XLogP value of -6.4 indicates that 菸酸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 359.0 Ų indicates high polarity, suggesting 菸酸腺嘌呤二核苷酸磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 菸酸腺嘌呤二核苷酸磷酸 has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 菸酸腺嘌呤二核苷酸磷酸?
The CAS number of 菸酸腺嘌呤二核苷酸磷酸 is 119299-06-8.
What is the molecular formula of 菸酸腺嘌呤二核苷酸磷酸?
The molecular formula of 菸酸腺嘌呤二核苷酸磷酸 is C21H28N6O18P3+.
What is the molecular weight of 菸酸腺嘌呤二核苷酸磷酸?
The molecular weight of 菸酸腺嘌呤二核苷酸磷酸 is 745.07 g/mol.
Where can I buy 菸酸腺嘌呤二核苷酸磷酸?
You can request a quote for 菸酸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 菸酸腺嘌呤二核苷酸磷酸?
Yes, KEHONG BIO provides custom synthesis services for 菸酸腺嘌呤二核苷酸磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.