D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate
TL;DR: D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate (CAS 109785-47-9) is a chemical compound with molecular formula C17H20N2O9 and molecular weight 396.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,5R)-4,5-diacetyloxy-6-(4-nitroanilino)oxan-3-yl] acetate
Also Known As: N-p-Nitrophenyl-D-xylosylamine triacetate, N-p-Nitrophenyl xylosylamine triacetate, D-, D-N-p-nitrophenyl xylosylamine triacetate, D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate, [(3R,4S,5R)-4,5-diacetyloxy-6-(4-nitroanilino)oxan-3-yl] acetate
| Molecular Formula | C17H20N2O9 |
|---|---|
| Molecular Weight | 396.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.11688 |
| Heavy Atoms | 28 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 109785-47-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1COC([C@@H]([C@H]1OC(=O)C)OC(=O)C)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AUBLYQAWASNETD-LVYZTWJOSA-N |
Product Overview
D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate (CAS 109785-47-9), with molecular formula C17H20N2O9 and molecular weight 396.12 g/mol. IUPAC: [(3R,4S,5R)-4,5-diacetyloxy-6-(4-nitroanilino)oxan-3-yl] acetate.
Chemical Property Profile of D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate
Property Insights of D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate. The TPSA of 146.0 Ų indicates high polarity, suggesting D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate?
The CAS number of D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate is 109785-47-9.
What is the molecular formula of D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate?
The molecular formula of D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate is C17H20N2O9.
What is the molecular weight of D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate?
The molecular weight of D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate is 396.12 g/mol.
Where can I buy D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate?
You can request a quote for D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate?
Yes, KEHONG BIO provides custom synthesis services for D-Xylopyranosylamine, N-(4-nitrophenyl)-, 2,3,4-triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.