beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)
TL;DR: beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) (CAS 1400-11-9) is a chemical compound with molecular formula C15H21N3O15 and molecular weight 483.10 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-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Also Known As: Karakin, Carakin, Endecaphillin A, Karakine, Karakin (8CI)
| Molecular Formula | C15H21N3O15 |
|---|---|
| Molecular Weight | 483.10 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 266.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 483.09726 |
| Heavy Atoms | 33 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 1400-11-9 |
|---|---|
| SMILES | C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O)O |
| InChIKey | CNURKUNYCXCBEK-WMNSZERYSA-N |
Product Overview
beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) (CAS 1400-11-9), with molecular formula C15H21N3O15 and molecular weight 483.10 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate.
Chemical Property Profile of beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)
Property Insights of beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)
The XLogP value of -2.2 indicates that beta-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 266.0 Ų indicates high polarity, suggesting beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) has 2 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 beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)?
The CAS number of beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) is 1400-11-9.
What is the molecular formula of beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)?
The molecular formula of beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) is C15H21N3O15.
What is the molecular weight of beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)?
The molecular weight of beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) is 483.10 g/mol.
Where can I buy beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)?
You can request a quote for beta-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 beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.