12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1
TL;DR: 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1 (CAS 116926-94-4) is a chemical compound with molecular formula C73H122N8O33 and molecular weight 1640.8197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[6-[(E)-2-[12-(4-azido-2-nitroanilino)dodecanoylamino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)-5-[(2-tritioacetyl)amino]oxane-2-carboxylic acid
Also Known As: Anad-GM1, 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1, 2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[6-[(E)-2-[12-(4-azido-2-nitroanilino)dodecanoylamino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)-5-[(2-tritioacetyl)amino]oxane-2-carboxylic acid, Dodecanamide, N-(1-(((O-(N-(acetyl-t)-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4))-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadeceyl)-12-((4-azido-2-nitrophenyl)amino)-, (R-(R*,S*-(E)))-, 2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[6-[(e)-2-[12-[(4-azido-2-nitrophenyl)amino]dodecanoylamino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)-5-[(2-tritioacetyl)amino]oxane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C73H122N8O33 |
| Molecular Weight | 1640.8197 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 613.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 50 |
| Exact Mass | 1640.8197 Da |
| Heavy Atoms | 114 |
| Complexity | 2900.0 |
| SMILES | [3H]CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)CO)OC5C(OC(C(C5O)O)OCC(C(/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCNC6=C(C=C(C=C6)N=[N+]=[N-])[N+](=O)[O-])CO)O)O |
| InChIKey | PCZAVKSTJLZSAQ-PVZBSJBISA-N |
Chemical Property Profile of 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1
Property Insights of 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1. The TPSA of 613.0 Ų indicates high polarity, suggesting 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1 has 21 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1?
The CAS number of 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1 is 116926-94-4.
What is the molecular formula of 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1?
The molecular formula of 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1 is C73H122N8O33.
What is the molecular weight of 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1?
The molecular weight of 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1 is 1640.8197 g/mol.
Where can I buy 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1?
You can request a quote for 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1?
Yes, CoreyChem provides custom synthesis services for 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.