N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate
TL;DR: N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate (CAS 149453-95-2) is a chemical compound with molecular formula C10H17NO12P2 and molecular weight 405.0226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
Also Known As: CPASP, 4'-Butyl-4-bromo-3-fluorobiphenyl, N-(Carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate, (3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid, 3-(Phosphonooxy)-4-hydroxy-5-(N-(phosphonomethyl-2-oxoethyl)amino)-1-cyclohexene-1-carboxylic acid
Technical Specifications
| Molecular Formula | C10H17NO12P2 |
| Molecular Weight | 405.0226 g/mol |
| XLogP | -6.5 |
| Topological Polar Surface Area (TPSA) | 222.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.0226 Da |
| Heavy Atoms | 25 |
| Complexity | 650.0 |
| SMILES | C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)N(CC(=O)O)CP(=O)(O)O |
| InChIKey | PQLOPNDFAZZBHL-BHNWBGBOSA-N |
Chemical Property Profile of N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate
Property Insights of N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate
The XLogP value of -6.5 indicates that N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate?
The CAS number of N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate is 149453-95-2.
What is the molecular formula of N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate?
The molecular formula of N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate is C10H17NO12P2.
What is the molecular weight of N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate?
The molecular weight of N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate is 405.0226 g/mol.
Where can I buy N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate?
You can request a quote for N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate?
Yes, CoreyChem provides custom synthesis services for N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.