萬古黴素
TL;DR: 萬古黴素 (CAS 1404-90-6) is a chemical compound with molecular formula C66H75Cl2N9O24 and molecular weight 1447.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
萬古黴素
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-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
Also Known As: Cyclodextrin-benzaldehyde, 1-(2-Pyridyl)piperazine, Vancomycin hydrochloride hydrate
| Molecular Formula | C66H75Cl2N9O24 |
|---|---|
| Molecular Weight | 1447.43 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 530.0 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 13 |
| Exact Mass | 1447.4302 |
| Heavy Atoms | 101 |
| Complexity | 2960.0 |
Chemical Identifiers
| CAS Number | 1404-90-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O |
| InChIKey | MYPYJXKWCTUITO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
萬古黴素 (CAS 1404-90-6), with molecular formula C66H75Cl2N9O24 and molecular weight 1447.43 g/mol. IUPAC: 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-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid.
Chemical Property Profile of 萬古黴素
Property Insights of 萬古黴素
The XLogP value of -2.6 indicates that 萬古黴素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 530.0 Ų indicates high polarity, suggesting 萬古黴素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 萬古黴素 has 19 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 萬古黴素?
The CAS number of 萬古黴素 is 1404-90-6.
What is the molecular formula of 萬古黴素?
The molecular formula of 萬古黴素 is C66H75Cl2N9O24.
What is the molecular weight of 萬古黴素?
The molecular weight of 萬古黴素 is 1447.43 g/mol.
Where can I buy 萬古黴素?
You can request a quote for 萬古黴素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 萬古黴素?
Yes, KEHONG BIO provides custom synthesis services for 萬古黴素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.