钆喷酸二甲葡胺
TL;DR: 钆喷酸二甲葡胺 (CAS 86050-77-3) is a chemical compound with molecular formula C28H54GdN5O20 and molecular weight 938.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
钆喷酸二甲葡胺
2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
Also Known As: Magnevist, GADOPENTETATE DIMEGLUMINE, Gadolinium dtpa, gadopentetate, Resovist
| Molecular Formula | C28H54GdN5O20 |
|---|---|
| Molecular Weight | 938.26 g/mol |
| LogP | -13.41 |
| Topological Polar Surface Area | 431.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Exact Mass | 938.2603 |
| Heavy Atoms | 54 |
| Complexity | 631.0 |
| Density | Osmolality at 37 °C = 1,960; Viscosity (cP) = 4.9 at 20 °C, 2.9 at 37 °C; Density = 1.195 at 25 °C; Specific gravity = 1.208 at 25 °C; LogPw = -5.4 at 25 °C and pH7 /Magnevist Injection/ |
| Solubility | Freely soluble in water |
Chemical Identifiers
| CAS Number | 86050-77-3 |
|---|---|
| SMILES | CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | LGMLJQFQKXPRGA-VPVMAENOSA-K |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
钆喷酸二甲葡胺 (CAS 86050-77-3), with molecular formula C28H54GdN5O20 and molecular weight 938.26 g/mol. IUPAC: 2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol).
Chemical Property Profile of 钆喷酸二甲葡胺
Property Insights of 钆喷酸二甲葡胺
The XLogP value of -13.41 indicates that 钆喷酸二甲葡胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 431.0 Ų indicates high polarity, suggesting 钆喷酸二甲葡胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 钆喷酸二甲葡胺 has 14 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 钆喷酸二甲葡胺?
The CAS number of 钆喷酸二甲葡胺 is 86050-77-3.
What is the molecular formula of 钆喷酸二甲葡胺?
The molecular formula of 钆喷酸二甲葡胺 is C28H54GdN5O20.
What is the molecular weight of 钆喷酸二甲葡胺?
The molecular weight of 钆喷酸二甲葡胺 is 938.26 g/mol.
Where can I buy 钆喷酸二甲葡胺?
You can request a quote for 钆喷酸二甲葡胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 钆喷酸二甲葡胺?
Yes, KEHONG BIO provides custom synthesis services for 钆喷酸二甲葡胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.