脱酰胺-NAD
TL;DR: 脱酰胺-NAD (CAS 6450-77-7) is a chemical compound with molecular formula C21H27N6O15P2+ and molecular weight 665.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱酰胺-NAD
1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid
Also Known As: deamido-NAD, deamido-NAD+, nicotinate adenine dinucleotide, KST-1B7104, Nicotinic acid adenine dinucleotide
| Molecular Formula | C21H27N6O15P2+ |
|---|---|
| Molecular Weight | 665.10 g/mol |
| LogP | -5.3 |
| Topological Polar Surface Area | 312.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 665.10095 |
| Heavy Atoms | 44 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 6450-77-7 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)O |
| InChIKey | SENPVEZBRZQVST-UHFFFAOYSA-O |
Product Overview
脱酰胺-NAD (CAS 6450-77-7), with molecular formula C21H27N6O15P2+ and molecular weight 665.10 g/mol. IUPAC: 1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid.
Chemical Property Profile of 脱酰胺-NAD
Property Insights of 脱酰胺-NAD
The XLogP value of -5.3 indicates that 脱酰胺-NAD is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 312.0 Ų indicates high polarity, suggesting 脱酰胺-NAD may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 脱酰胺-NAD has 8 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 脱酰胺-NAD?
The CAS number of 脱酰胺-NAD is 6450-77-7.
What is the molecular formula of 脱酰胺-NAD?
The molecular formula of 脱酰胺-NAD is C21H27N6O15P2+.
What is the molecular weight of 脱酰胺-NAD?
The molecular weight of 脱酰胺-NAD is 665.10 g/mol.
Where can I buy 脱酰胺-NAD?
You can request a quote for 脱酰胺-NAD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱酰胺-NAD?
Yes, KEHONG BIO provides custom synthesis services for 脱酰胺-NAD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.