6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate
TL;DR: 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate (CAS 117833-68-8) is a chemical compound with molecular formula C42H55N5O16 and molecular weight 885.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
Also Known As: (5-Leu)enkephalin-related, [5-Leu]enkephalin-related, 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate, 1-5-beta-Neoendorphin (human), 6-ester with beta-D-glucopyranose 1,2,3,4-tetraacetate, 6-(Tyrosylglycylglycylphenylalanylleucyl)-.beta.-D-glucopyranosetetraacetate
| Molecular Formula | C42H55N5O16 |
|---|---|
| Molecular Weight | 885.36 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 303.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 26 |
| Exact Mass | 885.3644 |
| Heavy Atoms | 63 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 117833-68-8 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N |
| InChIKey | JGOLGLYLAUVDFK-BNEQXWMJSA-N |
Product Overview
6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate (CAS 117833-68-8), with molecular formula C42H55N5O16 and molecular weight 885.36 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate.
Chemical Property Profile of 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate
Property Insights of 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate. The TPSA of 303.0 Ų indicates high polarity, suggesting 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate?
The CAS number of 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate is 117833-68-8.
What is the molecular formula of 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate?
The molecular formula of 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate is C42H55N5O16.
What is the molecular weight of 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate?
The molecular weight of 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate is 885.36 g/mol.
Where can I buy 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate?
You can request a quote for 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate?
Yes, KEHONG BIO provides custom synthesis services for 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.