Raffinose, pentahydrate
TL;DR: Raffinose, pentahydrate (CAS 6227-50-5) is a chemical compound with molecular formula C18H42O21 and molecular weight 594.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate
Also Known As: raffinose pentahydrate, Melitriose, D-(+)-Raffinose pentahydrate, D(+)-Raffinose pentahydrate, Melitose
| Molecular Formula | C18H42O21 |
|---|---|
| Molecular Weight | 594.22 g/mol |
| LogP | -11.6949 |
| Topological Polar Surface Area | 426.18 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 594.22186 |
| Heavy Atoms | 39 |
| Complexity | 658.3612 |
Chemical Identifiers
| CAS Number | 6227-50-5 |
|---|---|
| SMILES | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O |
Product Overview
Raffinose, pentahydrate (CAS 6227-50-5), with molecular formula C18H42O21 and molecular weight 594.22 g/mol. IUPAC: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate.
Chemical Property Profile of Raffinose, pentahydrate
Property Insights of Raffinose, pentahydrate
The XLogP value of -11.6949 indicates that Raffinose, pentahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.18 Ų indicates high polarity, suggesting Raffinose, pentahydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Raffinose, pentahydrate has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Raffinose, pentahydrate?
The CAS number of Raffinose, pentahydrate is 6227-50-5.
What is the molecular formula of Raffinose, pentahydrate?
The molecular formula of Raffinose, pentahydrate is C18H42O21.
What is the molecular weight of Raffinose, pentahydrate?
The molecular weight of Raffinose, pentahydrate is 594.22 g/mol.
Where can I buy Raffinose, pentahydrate?
You can request a quote for Raffinose, pentahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Raffinose, pentahydrate?
Yes, KEHONG BIO provides custom synthesis services for Raffinose, pentahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.