N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate
TL;DR: N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate (CAS 5447-80-3) is a chemical compound with molecular formula C15H19BaN6O11P and molecular weight 627.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);[(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Also Known As: pt(6)A, N-((9-beta-Ribofuranosyl-9H-purin-6-yl)carbamoyl)threonine, Aziridine, 1,1'-(methylphosphinylidene)bis-, N-(Purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate, barium(2+);[(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
| Molecular Formula | C15H19BaN6O11P |
|---|---|
| Molecular Weight | 627.99 g/mol |
| LogP | -4.1345 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 627.9902 |
| Heavy Atoms | 34 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 5447-80-3 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)O)NC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)O.[Ba+2] |
| InChIKey | HLGVAXXBQFYEKD-AYDKGABZSA-L |
Product Overview
N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate (CAS 5447-80-3), with molecular formula C15H19BaN6O11P and molecular weight 627.99 g/mol. IUPAC: barium(2+);[(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate.
Chemical Property Profile of N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate
Property Insights of N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate
The XLogP value of -4.1345 indicates that N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 264.0 Ų indicates high polarity, suggesting N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate?
The CAS number of N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate is 5447-80-3.
What is the molecular formula of N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate?
The molecular formula of N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate is C15H19BaN6O11P.
What is the molecular weight of N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate?
The molecular weight of N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate is 627.99 g/mol.
Where can I buy N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate?
You can request a quote for N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate?
Yes, KEHONG BIO provides custom synthesis services for N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.