NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
TL;DR: NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT (CAS 63293-11-8) is a chemical compound with molecular formula C24H31N7O15P2 and molecular weight 719.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[3-carbamoyl-4-(2-oxopropyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Also Known As: NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT, [(2R,3S,4R,5R)-5-(4-acetonyl-3-carbamoyl-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[3-carbamoyl-4-(2-oxopropyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate, 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoyl-4-(2-oxopropyl)pyridin-1-ium, NAE
| Molecular Formula | C24H31N7O15P2 |
|---|---|
| Molecular Weight | 719.14 g/mol |
| LogP | -3.5164 |
| Topological Polar Surface Area | 338.16 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 719.1353 |
| Heavy Atoms | 48 |
| Complexity | 1795.2651 |
Chemical Identifiers
| CAS Number | 63293-11-8 |
|---|---|
| SMILES | CC(=O)CC1=C(C=[N+](C=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)N)O)O)O)O)C(=O)N |
Product Overview
NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT (CAS 63293-11-8), with molecular formula C24H31N7O15P2 and molecular weight 719.14 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[3-carbamoyl-4-(2-oxopropyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate.
Chemical Property Profile of NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
Property Insights of NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
The XLogP value of -3.5164 indicates that NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 338.16 Ų indicates high polarity, suggesting NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT has 7 hydrogen bond donor(s) and 18 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 ACETONE ADDUCT?
The CAS number of NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT is 63293-11-8.
What is the molecular formula of NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT?
The molecular formula of NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT is C24H31N7O15P2.
What is the molecular weight of NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT?
The molecular weight of NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT is 719.14 g/mol.
Where can I buy NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT?
You can request a quote for NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT 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 ACETONE ADDUCT?
Yes, KEHONG BIO provides custom synthesis services for NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.