TL;DR: Chloroorienticin D (CAS 118373-83-4) is a chemical compound with molecular formula C74H90Cl2N10O26 and molecular weight 1604.5405 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-19-[[2-(dimethylamino)-4-methylpentanoyl]amino]-18,32,35,37-tetrahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
Also Known As: Chloroorienticin D, Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-56-methyl-, 2-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-19-[[2-(dimethylamino)-4-methylpentanoyl]amino]-18,32,35,37-tetrahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
| Molecular Formula | C74H90Cl2N10O26 |
| Molecular Weight | 1604.5405 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 566.0 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 15 |
| Exact Mass | 1604.5405 Da |
| Heavy Atoms | 112 |
| Complexity | 3330.0 |
| SMILES | CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC(=O)C(CC(C)C)N(C)C)CC(=O)N)O)C(=O)O)OC1CC(C(C(O1)C)O)(C)N)Cl)CO)O)O)(C)N)O |
| InChIKey | GXIYAZLYUMROIQ-UHFFFAOYSA-N |
The XLogP value of -2.3 indicates that Chloroorienticin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 566.0 Ų indicates high polarity, suggesting Chloroorienticin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chloroorienticin D has 19 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Chloroorienticin D is 118373-83-4.
The molecular formula of Chloroorienticin D is C74H90Cl2N10O26.
The molecular weight of Chloroorienticin D is 1604.5405 g/mol.
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