Carbanicotinamide adenine dinucleotide
TL;DR: Carbanicotinamide adenine dinucleotide (CAS 112345-60-5) is a chemical compound with molecular formula C22H29N7O13P2 and molecular weight 661.1299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(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
Technical Specifications
| Molecular Formula | C22H29N7O13P2 |
| Molecular Weight | 661.1299 g/mol |
| XLogP | -5.4 |
| Topological Polar Surface Area (TPSA) | 312.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 661.1299 Da |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
| 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 |
Chemical Property Profile of Carbanicotinamide adenine dinucleotide
Property Insights of Carbanicotinamide adenine dinucleotide
The XLogP value of -5.4 indicates that Carbanicotinamide adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 312.0 Ų indicates high polarity, suggesting Carbanicotinamide adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbanicotinamide adenine dinucleotide has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Carbanicotinamide adenine dinucleotide?
The CAS number of Carbanicotinamide adenine dinucleotide is 112345-60-5.
What is the molecular formula of Carbanicotinamide adenine dinucleotide?
The molecular formula of Carbanicotinamide adenine dinucleotide is C22H29N7O13P2.
What is the molecular weight of Carbanicotinamide adenine dinucleotide?
The molecular weight of Carbanicotinamide adenine dinucleotide is 661.1299 g/mol.
Where can I buy Carbanicotinamide adenine dinucleotide?
You can request a quote for Carbanicotinamide adenine dinucleotide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbanicotinamide adenine dinucleotide?
Yes, CoreyChem provides custom synthesis services for Carbanicotinamide adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.