Naphthalenetricarboxylic acid,methyl
TL;DR: Naphthalenetricarboxylic acid,methyl (CAS 117627-16-4) is a chemical compound with molecular formula C14H21N2O10P and molecular weight 408.09338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2R,3S,4S,5S)-5-(3-acetyl-2-amino-6-oxo-2,5-dihydro-1H-pyridin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Also Known As: Naphthalenetricarboxylic acid,methyl, ((5-(5-Acetyl-6-amino-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid, ((5-(5-Acetyl-6-amino-2-oxo-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid, (1S)-1-(5-Acetyl-6-amino-2-hydroxy-3,6-dihydropyridin-3-yl)-1,4-anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]-D-arabinitol, {[5-(5-Acetyl-6-amino-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid
Technical Specifications
| Molecular Formula | C14H21N2O10P |
| Molecular Weight | 408.09338 g/mol |
| XLogP | -6.4 |
| Topological Polar Surface Area (TPSA) | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.09338 Da |
| Heavy Atoms | 27 |
| Complexity | 710.0 |
| SMILES | CC(=O)C1=CC(C(=O)NC1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O |
| InChIKey | ULOSGLPSXQPPRM-IXVDXIGPSA-N |
Chemical Property Profile of Naphthalenetricarboxylic acid,methyl
Property Insights of Naphthalenetricarboxylic acid,methyl
The XLogP value of -6.4 indicates that Naphthalenetricarboxylic acid,methyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.0 Ų indicates high polarity, suggesting Naphthalenetricarboxylic acid,methyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naphthalenetricarboxylic acid,methyl has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Naphthalenetricarboxylic acid,methyl?
The CAS number of Naphthalenetricarboxylic acid,methyl is 117627-16-4.
What is the molecular formula of Naphthalenetricarboxylic acid,methyl?
The molecular formula of Naphthalenetricarboxylic acid,methyl is C14H21N2O10P.
What is the molecular weight of Naphthalenetricarboxylic acid,methyl?
The molecular weight of Naphthalenetricarboxylic acid,methyl is 408.09338 g/mol.
Where can I buy Naphthalenetricarboxylic acid,methyl?
You can request a quote for Naphthalenetricarboxylic acid,methyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Naphthalenetricarboxylic acid,methyl?
Yes, CoreyChem provides custom synthesis services for Naphthalenetricarboxylic acid,methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.