TL;DR: Anattggna (CAS 137551-42-9) is a chemical compound with molecular formula C17H21N5O10S and molecular weight 487.10092 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4S,5R,6R)-5-acetamido-2-(4-azido-2-nitrophenyl)sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Also Known As: Anattggna, (4-Azido-2-nitrophenyl)-5-acetamido-2,3,5-trideoxy-2-thioglycerogalacto-2-nonulopyranosidonic acid, (2S,4S,5R,6R)-5-acetamido-2-(4-azido-2-nitrophenyl)sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid, 4-Azido-2-nitrophenyl 3,5-dideoxy-5-[(1-hydroxyethylidene)amino]-2-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid, 4-Azido-2-nitrophenyl 3,5-dideoxy-5-[(1-hydroxyethylidene)amino]-2-thionon-2-ulopyranosidonic acid
| Molecular Formula | C17H21N5O10S |
| Molecular Weight | 487.10092 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.10092 Da |
| Heavy Atoms | 33 |
| Complexity | 793.0 |
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)SC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])O |
| InChIKey | BBOSXYSYGWZQEU-BPOSEPGKSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anattggna. The TPSA of 242.0 Ų indicates high polarity, suggesting Anattggna may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anattggna has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Anattggna is 137551-42-9.
The molecular formula of Anattggna is C17H21N5O10S.
The molecular weight of Anattggna is 487.10092 g/mol.
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