碳杂烟酰胺腺嘌呤二核苷酸
TL;DR: 碳杂烟酰胺腺嘌呤二核苷酸 (CAS 112345-60-5) is a chemical compound with molecular formula C22H29N7O13P2 and molecular weight 661.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳杂烟酰胺腺嘌呤二核苷酸
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(1R,2R,3S,4R)-4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxycyclopentyl]methyl phosphate
Also Known As: Carba-NAD, Carba-NAD+, Carbanicotinamide adenine dinucleotide, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(1R,2R,3S,4R)-4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxycyclopentyl]methyl phosphate
| Molecular Formula | C22H29N7O13P2 |
|---|---|
| Molecular Weight | 661.13 g/mol |
| LogP | -5.4 |
| Topological Polar Surface Area | 312.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 661.1299 |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 112345-60-5 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@H]([C@@H]1[N+]2=CC=CC(=C2)C(=O)N)O)O)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O |
| InChIKey | DGPLSUKWXXSBCU-VGXGLJSLSA-N |
Product Overview
碳杂烟酰胺腺嘌呤二核苷酸 (CAS 112345-60-5), with molecular formula C22H29N7O13P2 and molecular weight 661.13 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(1R,2R,3S,4R)-4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxycyclopentyl]methyl phosphate.
Chemical Property Profile of 碳杂烟酰胺腺嘌呤二核苷酸
Property Insights of 碳杂烟酰胺腺嘌呤二核苷酸
The XLogP value of -5.4 indicates that 碳杂烟酰胺腺嘌呤二核苷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 312.0 Ų indicates high polarity, suggesting 碳杂烟酰胺腺嘌呤二核苷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 碳杂烟酰胺腺嘌呤二核苷酸 has 7 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 碳杂烟酰胺腺嘌呤二核苷酸?
The CAS number of 碳杂烟酰胺腺嘌呤二核苷酸 is 112345-60-5.
What is the molecular formula of 碳杂烟酰胺腺嘌呤二核苷酸?
The molecular formula of 碳杂烟酰胺腺嘌呤二核苷酸 is C22H29N7O13P2.
What is the molecular weight of 碳杂烟酰胺腺嘌呤二核苷酸?
The molecular weight of 碳杂烟酰胺腺嘌呤二核苷酸 is 661.13 g/mol.
Where can I buy 碳杂烟酰胺腺嘌呤二核苷酸?
You can request a quote for 碳杂烟酰胺腺嘌呤二核苷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳杂烟酰胺腺嘌呤二核苷酸?
Yes, KEHONG BIO provides custom synthesis services for 碳杂烟酰胺腺嘌呤二核苷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.