5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide
TL;DR: 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide (CAS 80353-43-1) is a chemical compound with molecular formula C25H33N7O17P2 and molecular weight 765.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-[1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-5-carbamoylpyridin-1-ium-3-yl]-2-hydroxybutanoate
Also Known As: S-Lac-NAD, KST-1A8316, 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide, (2s)-4-[1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-5-carbamoyl-pyridin-1-ium-3-yl]-2-hydroxy-butanoate, (3s)-5-(3-Carboxy-3-Hydroxypropyl) Nicotinamide-Adenine-Dinucleotide
| Molecular Formula | C25H33N7O17P2 |
|---|---|
| Molecular Weight | 765.14 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 379.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 765.1408 |
| Heavy Atoms | 51 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 80353-43-1 |
|---|---|
| SMILES | C1=C(C=[N+](C=C1C(=O)N)[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)O)O)O)O)CC[C@@H](C(=O)[O-])O |
| InChIKey | PLMTVPOYALSQOL-AMUFZZJCSA-N |
Product Overview
5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide (CAS 80353-43-1), with molecular formula C25H33N7O17P2 and molecular weight 765.14 g/mol. IUPAC: (2S)-4-[1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-5-carbamoylpyridin-1-ium-3-yl]-2-hydroxybutanoate.
Chemical Property Profile of 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide
Property Insights of 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide
The XLogP value of -5.7 indicates that 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 379.0 Ų indicates high polarity, suggesting 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide has 9 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 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide?
The CAS number of 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide is 80353-43-1.
What is the molecular formula of 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide?
The molecular formula of 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide is C25H33N7O17P2.
What is the molecular weight of 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide?
The molecular weight of 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide is 765.14 g/mol.
Where can I buy 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide?
You can request a quote for 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.