Rhodiocyanoside B
TL;DR: Rhodiocyanoside B (CAS 168433-87-2) is a chemical compound with molecular formula C18H21NO11 and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] 3,4,5-trihydroxybenzoate
Also Known As: Rhodiocyanoside B, [(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] 3,4,5-trihydroxybenzoate, (2E)-2-Cyano-4-(beta-D-glucopyranosyloxy)but-2-en-1-yl 3,4,5-trihydroxybenzoate, (2E)-2-Cyano-4-(I(2)-D-glucopyranosyloxy)-2-buten-1-yl 3,4,5-trihydroxybenzoate, 3,4,5-Trihydroxybenzoic acid [(2E)-2-cyano-4-(beta-D-glucopyranosyloxy)-2-butenyl] ester
| Molecular Formula | C18H21NO11 |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | -1.77332 |
| Topological Polar Surface Area | 210.16 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.11145 |
| Heavy Atoms | 30 |
| Complexity | 808.9069 |
Chemical Identifiers
| CAS Number | 168433-87-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OC/C(=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C#N |
Product Overview
Rhodiocyanoside B (CAS 168433-87-2), with molecular formula C18H21NO11 and molecular weight 427.11 g/mol. IUPAC: [(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Rhodiocyanoside B
Property Insights of Rhodiocyanoside B
The XLogP value of -1.77332 indicates that Rhodiocyanoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.16 Ų indicates high polarity, suggesting Rhodiocyanoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rhodiocyanoside B has 7 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 Rhodiocyanoside B?
The CAS number of Rhodiocyanoside B is 168433-87-2.
What is the molecular formula of Rhodiocyanoside B?
The molecular formula of Rhodiocyanoside B is C18H21NO11.
What is the molecular weight of Rhodiocyanoside B?
The molecular weight of Rhodiocyanoside B is 427.11 g/mol.
Where can I buy Rhodiocyanoside B?
You can request a quote for Rhodiocyanoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhodiocyanoside B?
Yes, KEHONG BIO provides custom synthesis services for Rhodiocyanoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.