alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)
TL;DR: alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) (CAS 63368-43-4) is a chemical compound with molecular formula C15H21N3O18 and molecular weight 531.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3S,4S,5R,6S)-5,6-bis(2-carboxy-1-nitroethyl)-3,4,5,6-tetrahydroxyoxan-2-yl]-4-hydroxy-3-nitrobutanoic acid
Also Known As: alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate), 4-hydroxy-3-nitro-4-[(3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-5,6-bis(3-hydroxy-1-nitro-3-oxopropyl)oxan-2-yl]butanoic acid, 4-[(3S,4S,5R,6S)-5,6-bis(2-carboxy-1-nitroethyl)-3,4,5,6-tetrahydroxyoxan-2-yl]-4-hydroxy-3-nitrobutanoic acid
| Molecular Formula | C15H21N3O18 |
|---|---|
| Molecular Weight | 531.08 g/mol |
| LogP | -4.7524 |
| Topological Polar Surface Area | 351.7 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 531.08203 |
| Heavy Atoms | 36 |
| Complexity | 925.4148 |
Chemical Identifiers
| CAS Number | 63368-43-4 |
|---|---|
| SMILES | C(C(C(C1[C@H]([C@@H]([C@@]([C@@](O1)(C(CC(=O)O)[N+](=O)[O-])O)(C(CC(=O)O)[N+](=O)[O-])O)O)O)O)[N+](=O)[O-])C(=O)O |
Product Overview
alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) (CAS 63368-43-4), with molecular formula C15H21N3O18 and molecular weight 531.08 g/mol. IUPAC: 4-[(3S,4S,5R,6S)-5,6-bis(2-carboxy-1-nitroethyl)-3,4,5,6-tetrahydroxyoxan-2-yl]-4-hydroxy-3-nitrobutanoic acid.
Chemical Property Profile of alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)
Property Insights of alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)
The XLogP value of -4.7524 indicates that alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 351.7 Ų indicates high polarity, suggesting alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) has 8 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 alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)?
The CAS number of alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) is 63368-43-4.
What is the molecular formula of alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)?
The molecular formula of alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) is C15H21N3O18.
What is the molecular weight of alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)?
The molecular weight of alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) is 531.08 g/mol.
Where can I buy alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)?
You can request a quote for alpha-D-Glucopyranose, 1,2,6-tris(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, 1,2,6-tris(3-nitropropanoate)?
Yes, KEHONG BIO provides custom synthesis services for alpha-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.