Precorrin 6Y
TL;DR: Precorrin 6Y (CAS 139663-55-1) is a chemical compound with molecular formula C44H56N4O16 and molecular weight 896.36914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4Z,15Z)-8,13,17-tris(2-carboxyethyl)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-3,10,18,19,21,24-hexahydrocorrin-3-yl]propanoic acid
Also Known As: Precorrin 6Y, precorrin-6y, 3-[(4Z,15Z)-8,13,17-tris(2-carboxyethyl)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-3,10,18,19,21,24-hexahydrocorrin-3-yl]propanoic acid, 3,7,12,17-Corrintetrapropanoic acid, 2,8,13,18-tetrakis(carboxymethyl)-7,8,11,12-tetradehydro-9,10,11,22-tetrahydro-3,9,13,18,19-pentamethyl-, (1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))-, (1R,2R,3S,9S,13S,17S,18S,19R)-2,8,13,18-Tetrakis(carboxymethyl)-7,8,11,12-tetradehydro-9,10,11,22-tetrahydro-3,9,13,18,19-pentamethyl-3,7,12,17-corrintetrapropanoic acid
Technical Specifications
| Molecular Formula | C44H56N4O16 |
| Molecular Weight | 896.36914 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 347.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Exact Mass | 896.36914 Da |
| Heavy Atoms | 64 |
| Complexity | 2270.0 |
| SMILES | CC12CC3=C(C(C(=N3)/C=C\4/C(C(C(N4)(C5C(C(/C(=C/C(=N1)C(=C2CC(=O)O)CCC(=O)O)/N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O |
| InChIKey | UZVGLSZJXWVSGT-PBOPUUKSSA-N |
Chemical Property Profile of Precorrin 6Y
Property Insights of Precorrin 6Y
The XLogP value of -0.9 indicates that Precorrin 6Y is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 347.0 Ų indicates high polarity, suggesting Precorrin 6Y may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Precorrin 6Y has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Precorrin 6Y?
The CAS number of Precorrin 6Y is 139663-55-1.
What is the molecular formula of Precorrin 6Y?
The molecular formula of Precorrin 6Y is C44H56N4O16.
What is the molecular weight of Precorrin 6Y?
The molecular weight of Precorrin 6Y is 896.36914 g/mol.
Where can I buy Precorrin 6Y?
You can request a quote for Precorrin 6Y directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Precorrin 6Y?
Yes, CoreyChem provides custom synthesis services for Precorrin 6Y and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.