Nicotinamide-adenine dinucleotide 2',3'-dialdehyde
TL;DR: Nicotinamide-adenine dinucleotide 2',3'-dialdehyde (CAS 117017-91-1) is a chemical compound with molecular formula C21H25N7O14P2 and molecular weight 661.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [2-[1-(3-carbamoylpyridin-1-ium-1-yl)-2-oxoethoxy]-3-oxopropyl] phosphate
Also Known As: oNADH, oNAD, Erigeside B, NAD 2',3'-Dialdehyde, Nicotinamide-adenine dinucleotide 2',3'-dialdehyde
| Molecular Formula | C21H25N7O14P2 |
|---|---|
| Molecular Weight | 661.09 g/mol |
| LogP | -2.9855 |
| Topological Polar Surface Area | 314.77 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Exact Mass | 661.09344 |
| Heavy Atoms | 44 |
| Complexity | 1624.6201 |
Chemical Identifiers
| CAS Number | 117017-91-1 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)C(C=O)OC(COP(=O)([O-])OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)C=O)C(=O)N |
Product Overview
Nicotinamide-adenine dinucleotide 2',3'-dialdehyde (CAS 117017-91-1), with molecular formula C21H25N7O14P2 and molecular weight 661.09 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [2-[1-(3-carbamoylpyridin-1-ium-1-yl)-2-oxoethoxy]-3-oxopropyl] phosphate.
Chemical Property Profile of Nicotinamide-adenine dinucleotide 2',3'-dialdehyde
Property Insights of Nicotinamide-adenine dinucleotide 2',3'-dialdehyde
The XLogP value of -2.9855 indicates that Nicotinamide-adenine dinucleotide 2',3'-dialdehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 314.77 Ų indicates high polarity, suggesting Nicotinamide-adenine dinucleotide 2',3'-dialdehyde may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicotinamide-adenine dinucleotide 2',3'-dialdehyde has 5 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 Nicotinamide-adenine dinucleotide 2',3'-dialdehyde?
The CAS number of Nicotinamide-adenine dinucleotide 2',3'-dialdehyde is 117017-91-1.
What is the molecular formula of Nicotinamide-adenine dinucleotide 2',3'-dialdehyde?
The molecular formula of Nicotinamide-adenine dinucleotide 2',3'-dialdehyde is C21H25N7O14P2.
What is the molecular weight of Nicotinamide-adenine dinucleotide 2',3'-dialdehyde?
The molecular weight of Nicotinamide-adenine dinucleotide 2',3'-dialdehyde is 661.09 g/mol.
Where can I buy Nicotinamide-adenine dinucleotide 2',3'-dialdehyde?
You can request a quote for Nicotinamide-adenine dinucleotide 2',3'-dialdehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinamide-adenine dinucleotide 2',3'-dialdehyde?
Yes, KEHONG BIO provides custom synthesis services for Nicotinamide-adenine dinucleotide 2',3'-dialdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.