Coronarian
TL;DR: Coronarian (CAS 63505-68-0) 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,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Also Known As: Coronarian, KST-1A7092, alpha-D-Glucopyranose, 2,6-bis(3-nitropropanoate), (3xi)-2,6-bis-o-(3-nitropropanoyl)-, A-d-ribo-hexopyranose
| 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 | 63505-68-0 |
|---|---|
| SMILES | C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H](C([C@H]([C@H](O1)O)OC(=O)CC[N+](=O)[O-])O)O |
| InChIKey | VDUXCWJUZIOGJA-FLYDFBHLSA-N |
Product Overview
Coronarian (CAS 63505-68-0), with molecular formula C12H18N2O12 and molecular weight 382.09 g/mol. IUPAC: [(2R,3S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate.
Chemical Property Profile of Coronarian
Property Insights of Coronarian
The XLogP value of -2.5 indicates that Coronarian is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting Coronarian may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coronarian 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 Coronarian?
The CAS number of Coronarian is 63505-68-0.
What is the molecular formula of Coronarian?
The molecular formula of Coronarian is C12H18N2O12.
What is the molecular weight of Coronarian?
The molecular weight of Coronarian is 382.09 g/mol.
Where can I buy Coronarian?
You can request a quote for Coronarian directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coronarian?
Yes, KEHONG BIO provides custom synthesis services for Coronarian and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.