TL;DR: 2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 149022-23-1) is a chemical compound with molecular formula C25H38O16 and molecular weight 594.216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, Benzyl 3,6-di-O-(a-D-mannopyranosyl)-a-D-mannopyranoside, Benzyl 3,6-di-O-(, A-D-mannopyranosyl)-, A-D-mannopyranoside
| Molecular Formula | C25H38O16 |
| Molecular Weight | 594.216 g/mol |
| XLogP | -4.4 |
| Topological Polar Surface Area (TPSA) | 258.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 594.216 Da |
| Heavy Atoms | 41 |
| Complexity | 787.0 |
| SMILES | C1=CC=C(C=C1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| InChIKey | ZJEBYRRLXCRZQN-UHFFFAOYSA-N |
The XLogP value of -4.4 indicates that 2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.0 Ų indicates high polarity, suggesting 2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is 149022-23-1.
The molecular formula of 2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C25H38O16.
The molecular weight of 2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is 594.216 g/mol.
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