Cibarian
TL;DR: Cibarian (CAS 39797-90-5) is a chemical compound with molecular formula C12H18N2O12 and molecular weight 382.09 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-trihydroxy-6-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Also Known As: Cibarian, Cibarin, Compound NP-023132, beta-D-Glucopyranose, 1,6-bis(3-nitropropanoate), A-d-glucopyranose, 1,6-bis(3-nitropropanoate)
| Molecular Formula | C12H18N2O12 |
|---|---|
| Molecular Weight | 382.09 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 382.08597 |
| Heavy Atoms | 26 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 39797-90-5 |
|---|---|
| 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-])O)O)O |
| InChIKey | PUSAAHYGRLPDMQ-JPXBYFMYSA-N |
Product Overview
Cibarian (CAS 39797-90-5), with molecular formula C12H18N2O12 and molecular weight 382.09 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate.
Chemical Property Profile of Cibarian
Property Insights of Cibarian
The XLogP value of -2.5 indicates that Cibarian is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting Cibarian may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cibarian has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cibarian?
The CAS number of Cibarian is 39797-90-5.
What is the molecular formula of Cibarian?
The molecular formula of Cibarian is C12H18N2O12.
What is the molecular weight of Cibarian?
The molecular weight of Cibarian is 382.09 g/mol.
Where can I buy Cibarian?
You can request a quote for Cibarian directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cibarian?
Yes, KEHONG BIO provides custom synthesis services for Cibarian and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.