1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
TL;DR: 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate (CAS 5962-18-5) is a chemical compound with molecular formula C12H16NO9P and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]amino]benzoic acid
Also Known As: 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate, 1-(2-Carboxyphenylamino)-1-deoxyribulose 5-phosphate, J2.634.852H, 1-(o-carboxyphenylamino)-1-deoxyribulose 5-phosphate, 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribulose
| Molecular Formula | C12H16NO9P |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 349.05627 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 5962-18-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O |
| InChIKey | QKMBYNRMPRKVTO-MNOVXSKESA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate (CAS 5962-18-5), with molecular formula C12H16NO9P and molecular weight 349.06 g/mol. IUPAC: 2-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]amino]benzoic acid.
Chemical Property Profile of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
Property Insights of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
The XLogP value of -1.3 indicates that 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.0 Ų indicates high polarity, suggesting 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate?
The CAS number of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate is 5962-18-5.
What is the molecular formula of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate?
The molecular formula of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate is C12H16NO9P.
What is the molecular weight of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate?
The molecular weight of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate is 349.06 g/mol.
Where can I buy 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate?
You can request a quote for 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.