TL;DR: D-Histidine, beta-hydroxy-, erythro- (CAS 127309-33-5) is a chemical compound with molecular formula C6H9N3O3 and molecular weight 171.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: 3-hydroxyhistidine, erythro-, A-hydroxy-L-histidine, D-Histidine, beta-hydroxy-, erythro-, A-hydroxy-L-histidine hydrate
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H9N3O3 |
| Molecular Weight | 171.06439 g/mol |
| XLogP | -4.3 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.06439 Da |
| Heavy Atoms | 12 |
| Complexity | 175.0 |
| SMILES | C1=C(NC=N1)C(C(C(=O)O)N)O |
| InChIKey | KQMBIBBJWXGSEI-UHFFFAOYSA-N |
The XLogP value of -4.3 indicates that D-Histidine, beta-hydroxy-, erythro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for D-Histidine, beta-hydroxy-, erythro-. Following Lipinski's Rule of Five, D-Histidine, beta-hydroxy-, erythro- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of D-Histidine, beta-hydroxy-, erythro- is 127309-33-5.
The molecular formula of D-Histidine, beta-hydroxy-, erythro- is C6H9N3O3.
The molecular weight of D-Histidine, beta-hydroxy-, erythro- is 171.06439 g/mol.
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