Phenolyl cobamide
TL;DR: Phenolyl cobamide (CAS 125939-05-1) is a chemical compound with molecular formula C60H87CoN12O16P+ and molecular weight 1321.5432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cobalt(3+);[4-hydroxy-2-(hydroxymethyl)-5-phenoxyoxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate;cyanide;hydrate
Also Known As: Phenolyl cobamide, cobalt(3+),[4-hydroxy-2-(hydroxymethyl)-5-phenoxyoxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen, cobalt(3+); [4-hydroxy-2-(hydroxymethyl)-5-phenoxyoxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate; cyanide; hydrate, cobalt(3+);[4-hydroxy-2-(hydroxymethyl)-5-phenoxyoxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate;cyanide;hydrate
Technical Specifications
| Molecular Formula | C60H87CoN12O16P+ |
| Molecular Weight | 1321.5432 g/mol |
| XLogP | 2.45627 |
| Topological Polar Surface Area (TPSA) | 465.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 27 |
| Exact Mass | 1321.5432 Da |
| Heavy Atoms | 90 |
| Complexity | 2970.0 |
| SMILES | C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC6C(OC(C6O)OC7=CC=CC=C7)CO.[C-]#N.O.[Co+3] |
| InChIKey | ONRLUVOBXGMCGM-UHFFFAOYSA-M |
Chemical Property Profile of Phenolyl cobamide
Property Insights of Phenolyl cobamide
The XLogP value of 2.45627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenolyl cobamide. The TPSA of 465.0 Ų indicates high polarity, suggesting Phenolyl cobamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenolyl cobamide has 11 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phenolyl cobamide?
The CAS number of Phenolyl cobamide is 125939-05-1.
What is the molecular formula of Phenolyl cobamide?
The molecular formula of Phenolyl cobamide is C60H87CoN12O16P+.
What is the molecular weight of Phenolyl cobamide?
The molecular weight of Phenolyl cobamide is 1321.5432 g/mol.
Where can I buy Phenolyl cobamide?
You can request a quote for Phenolyl cobamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenolyl cobamide?
Yes, CoreyChem provides custom synthesis services for Phenolyl cobamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.