D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride
TL;DR: D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride (CAS 71746-11-7) is a chemical compound with molecular formula C21H33ClI3N3O9 and molecular weight 886.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]methyl-(2,3-dihydroxypropyl)-methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]azanium chloride
Also Known As: D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride, [3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzyl]-glyceryl-methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]ammonium;chloride, [3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]methyl-(2,3-dihydroxypropyl)-methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]azanium chloride, [3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]methyl-(2,3-dihydroxypropyl)-methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]azanium,chloride, D-Glucitol, 1-[[[3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]phenyl]methyl](2,3-dihydroxypropyl)methylammonio]-1-deoxy-, chloride
| Molecular Formula | C21H33ClI3N3O9 |
|---|---|
| Molecular Weight | 886.90 g/mol |
| LogP | -4.4419 |
| Topological Polar Surface Area | 199.81 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 886.904 |
| Heavy Atoms | 37 |
| Complexity | 946.5068 |
Chemical Identifiers
| CAS Number | 71746-11-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC)I)C[N+](C)(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CC(CO)O)I.[Cl-] |
Product Overview
D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride (CAS 71746-11-7), with molecular formula C21H33ClI3N3O9 and molecular weight 886.90 g/mol. IUPAC: [3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]methyl-(2,3-dihydroxypropyl)-methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]azanium chloride.
Chemical Property Profile of D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride
Property Insights of D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride
The XLogP value of -4.4419 indicates that D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.81 Ų indicates high polarity, suggesting D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride has 9 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride?
The CAS number of D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride is 71746-11-7.
What is the molecular formula of D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride?
The molecular formula of D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride is C21H33ClI3N3O9.
What is the molecular weight of D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride?
The molecular weight of D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride is 886.90 g/mol.
Where can I buy D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride?
You can request a quote for D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride?
Yes, KEHONG BIO provides custom synthesis services for D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.