Myrciaphenone B
TL;DR: Myrciaphenone B (CAS 203734-36-5) is a chemical compound with molecular formula C21H22O13 and molecular weight 482.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: Myrciaphenone B, [(2R,3S,4S,5R,6S)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate, 2 -[(6-O-Galloyl-beta-D-glucopyranosyl)oxy]-4 ,6 -dihydroxyacetophenone, 2-Acetyl-3,5-dihydroxyphenyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside, RefChem:160368
| Molecular Formula | C21H22O13 |
|---|---|
| Molecular Weight | 482.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.10605 |
| Heavy Atoms | 34 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 203734-36-5 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)O |
| InChIKey | GXHABJFCOYOIBY-FKRBRYKNSA-N |
Product Overview
Myrciaphenone B (CAS 203734-36-5), with molecular formula C21H22O13 and molecular weight 482.11 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Myrciaphenone B
Property Insights of Myrciaphenone B
The XLogP value of -0.1 indicates that Myrciaphenone B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting Myrciaphenone B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Myrciaphenone B has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Myrciaphenone B?
The CAS number of Myrciaphenone B is 203734-36-5.
What is the molecular formula of Myrciaphenone B?
The molecular formula of Myrciaphenone B is C21H22O13.
What is the molecular weight of Myrciaphenone B?
The molecular weight of Myrciaphenone B is 482.11 g/mol.
Where can I buy Myrciaphenone B?
You can request a quote for Myrciaphenone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrciaphenone B?
Yes, KEHONG BIO provides custom synthesis services for Myrciaphenone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.