alpha-D-Glucopyranose, 6-(3-nitropropanoate)
TL;DR: alpha-D-Glucopyranose, 6-(3-nitropropanoate) (CAS 59440-99-2) is a chemical compound with molecular formula C9H15NO9 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3-nitropropanoate
Also Known As: 1-(1-Oxohexadecyl)-L-proline, alpha-D-Glucopyranose, 6-(3-nitropropanoate), 6-O-(3-Nitropropanoyl)-alpha-D-glucopyranose, alpha-D-Glucopyranose 6-(3-nitropropanoate), [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3-nitropropanoate
| Molecular Formula | C9H15NO9 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | -3.0037 |
| Topological Polar Surface Area | 159.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.07468 |
| Heavy Atoms | 19 |
| Complexity | 335.65198 |
Chemical Identifiers
| CAS Number | 59440-99-2 |
|---|---|
| SMILES | C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O |
Product Overview
alpha-D-Glucopyranose, 6-(3-nitropropanoate) (CAS 59440-99-2), with molecular formula C9H15NO9 and molecular weight 281.07 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3-nitropropanoate.
Chemical Property Profile of alpha-D-Glucopyranose, 6-(3-nitropropanoate)
Property Insights of alpha-D-Glucopyranose, 6-(3-nitropropanoate)
The XLogP value of -3.0037 indicates that alpha-D-Glucopyranose, 6-(3-nitropropanoate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.59 Ų indicates high polarity, suggesting alpha-D-Glucopyranose, 6-(3-nitropropanoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-D-Glucopyranose, 6-(3-nitropropanoate) has 4 hydrogen bond donor(s) and 9 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 alpha-D-Glucopyranose, 6-(3-nitropropanoate)?
The CAS number of alpha-D-Glucopyranose, 6-(3-nitropropanoate) is 59440-99-2.
What is the molecular formula of alpha-D-Glucopyranose, 6-(3-nitropropanoate)?
The molecular formula of alpha-D-Glucopyranose, 6-(3-nitropropanoate) is C9H15NO9.
What is the molecular weight of alpha-D-Glucopyranose, 6-(3-nitropropanoate)?
The molecular weight of alpha-D-Glucopyranose, 6-(3-nitropropanoate) is 281.07 g/mol.
Where can I buy alpha-D-Glucopyranose, 6-(3-nitropropanoate)?
You can request a quote for alpha-D-Glucopyranose, 6-(3-nitropropanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-D-Glucopyranose, 6-(3-nitropropanoate)?
Yes, KEHONG BIO provides custom synthesis services for alpha-D-Glucopyranose, 6-(3-nitropropanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.