N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD
TL;DR: N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD (CAS 54933-51-6) is a chemical compound with molecular formula C29H43N9O15P2 and molecular weight 819.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-[6-[[2-(6-aminohexylamino)-2-oxoethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Also Known As: N-Acnad, KST-1A5966, N-6-(N-(6-Aminohexyl)carbamoylmethyl)-NAD, Nicotinamide-N(6)-(N-(6-aminohexyl)carbamoylmethyl)adenine dinucleotide, (2r,3r,4r,5r)-5-({[{[({(2r,3s,4r,5r)-5-[6-({2-[(6-aminohexyl)amino]-2-oxoethyl}amino)-9h-purin-9-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-carbamoylpyridinium-1-yl)-4-hydroxytetrahydrofuran-3-olate(non-preferred name)
| Molecular Formula | C29H43N9O15P2 |
|---|---|
| Molecular Weight | 819.24 g/mol |
| LogP | -6.6 |
| Topological Polar Surface Area | 362.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Exact Mass | 819.2354 |
| Heavy Atoms | 55 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 54933-51-6 |
|---|---|
| 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)NCC(=O)NCCCCCCN)O)O)O)[O-])C(=O)N |
| InChIKey | GABPYIIHWMAIPB-QEFSYXKZSA-N |
Product Overview
N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD (CAS 54933-51-6), with molecular formula C29H43N9O15P2 and molecular weight 819.24 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-[6-[[2-(6-aminohexylamino)-2-oxoethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate.
Chemical Property Profile of N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD
Property Insights of N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD
The XLogP value of -6.6 indicates that N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 362.0 Ų indicates high polarity, suggesting N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD has 9 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD?
The CAS number of N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD is 54933-51-6.
What is the molecular formula of N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD?
The molecular formula of N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD is C29H43N9O15P2.
What is the molecular weight of N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD?
The molecular weight of N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD is 819.24 g/mol.
Where can I buy N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD?
You can request a quote for N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD?
Yes, KEHONG BIO provides custom synthesis services for N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.