![4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid structure](/static/products/3887/38877-35-9.webp)
4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
TL;DR: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid (CAS 38877-35-9) is a chemical compound with molecular formula C26H33N3O13 and molecular weight 595.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Also Known As: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid, 2-Acetamido-3,4,6-tri-O-acetyl-N-{N-[(benzyloxy)carbonyl]-alpha-aspartyl}-2-deoxyhexopyranosylamine
| Molecular Formula | C26H33N3O13 |
|---|---|
| Molecular Weight | 595.20 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 595.20135 |
| Heavy Atoms | 42 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 38877-35-9 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | FQWJKIRQHJKUHA-UHFFFAOYSA-N |
Product Overview
4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid (CAS 38877-35-9), with molecular formula C26H33N3O13 and molecular weight 595.20 g/mol. IUPAC: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Property Insights of 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
The XLogP value of -0.6 indicates that 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
The CAS number of 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid is 38877-35-9.
What is the molecular formula of 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
The molecular formula of 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid is C26H33N3O13.
What is the molecular weight of 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
The molecular weight of 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid is 595.20 g/mol.
Where can I buy 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
You can request a quote for 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.