(2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate
TL;DR: (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate (CAS 568580-02-9) is a chemical compound with molecular formula C46H69N7O15 and molecular weight 959.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate
Also Known As: 3ah8, EX-A11446, (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate, [(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-Acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate, (R)-1-((3S,6S,9S,12S,18R,21S,22R)-21-Acetamido-18-benzyl-3-((R)-1-methoxyethyl)-4,9,10,12,16,22-hexamethyl-15-methylene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentaazacyclodocosan-6-yl)-2-methylpropyl
| Molecular Formula | C46H69N7O15 |
|---|---|
| Molecular Weight | 959.49 g/mol |
| LogP | -0.6493 |
| Topological Polar Surface Area | 285.69 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 959.48517 |
| Heavy Atoms | 68 |
| Complexity | 2031.2263 |
Chemical Identifiers
| CAS Number | 568580-02-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H](C(=O)O[C@@H](C(=O)N(C(=C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)[C@@H](C)OC)C)[C@@H](C(C)C)OC(=O)[C@H]([C@@H](C(C)C)O)NC(=O)C)C)C)C)C)CC2=CC=CC=C2)NC(=O)C |
Product Overview
(2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate (CAS 568580-02-9), with molecular formula C46H69N7O15 and molecular weight 959.49 g/mol. IUPAC: [(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate.
Chemical Property Profile of (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate
Property Insights of (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate
The XLogP value of -0.6493 indicates that (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 285.69 Ų indicates high polarity, suggesting (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate?
The CAS number of (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate is 568580-02-9.
What is the molecular formula of (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate?
The molecular formula of (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate is C46H69N7O15.
What is the molecular weight of (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate?
The molecular weight of (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate is 959.49 g/mol.
Where can I buy (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate?
You can request a quote for (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.