TL;DR: validamycin G (CAS 106054-17-5) is a chemical compound with molecular formula C20H35NO14 and molecular weight 513.20575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,2S,4S,5S,6R)-2,5,6-trihydroxy-2-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxyoxane-3,4,5-triol
Also Known As: validamycin G, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,2S,4S,5S,6R)-2,5,6-trihydroxy-2-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxyoxane-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(1S,2S,4S,5S,6R)-2,5,6-trihydroxy-2-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]oxy}oxane-3,4,5-triol, 1-O-beta-D-Glucopyranosyl-2-C-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cy, 1-O-beta-D-Glucopyranosyl-2-C-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-3,4-dideoxy-D-epi-inositol
| Molecular Formula | C20H35NO14 |
| Molecular Weight | 513.20575 g/mol |
| XLogP | -7.3 |
| Topological Polar Surface Area (TPSA) | 273.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.20575 Da |
| Heavy Atoms | 35 |
| Complexity | 743.0 |
| SMILES | C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO |
| InChIKey | FKVLATUQODRNIC-ZFNZPGKVSA-N |
The XLogP value of -7.3 indicates that validamycin G is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 273.0 Ų indicates high polarity, suggesting validamycin G may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, validamycin G has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of validamycin G is 106054-17-5.
The molecular formula of validamycin G is C20H35NO14.
The molecular weight of validamycin G is 513.20575 g/mol.
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