Vancomycin Hydrochloride
TL;DR: Vancomycin Hydrochloride (CAS 123409-00-7) is a chemical compound with molecular formula C66H76Cl3N9O24 and molecular weight 1483.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-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-[[(2R)-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;hydrochloride
Also Known As: Vancomycin HCL, VANCOMYCIN HYDROCHLORIDE, Vancoled, Firvanq, Vancomycin monohydrochloride
| Molecular Formula | C66H76Cl3N9O24 |
|---|---|
| Molecular Weight | 1483.41 g/mol |
| LogP | 0.528 |
| Topological Polar Surface Area | 530.49 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 13 |
| Exact Mass | 1483.4069 |
| Heavy Atoms | 102 |
| Complexity | 4079.8523 |
Chemical Identifiers
| CAS Number | 123409-00-7 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O.Cl |
Product Overview
Vancomycin Hydrochloride (CAS 123409-00-7), with molecular formula C66H76Cl3N9O24 and molecular weight 1483.41 g/mol. IUPAC: (1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-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-[[(2R)-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;hydrochloride.
Chemical Property Profile of Vancomycin Hydrochloride
Property Insights of Vancomycin Hydrochloride
The XLogP value of 0.528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vancomycin Hydrochloride. The TPSA of 530.49 Ų indicates high polarity, suggesting Vancomycin Hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vancomycin Hydrochloride has 19 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vancomycin Hydrochloride?
The CAS number of Vancomycin Hydrochloride is 123409-00-7.
What is the molecular formula of Vancomycin Hydrochloride?
The molecular formula of Vancomycin Hydrochloride is C66H76Cl3N9O24.
What is the molecular weight of Vancomycin Hydrochloride?
The molecular weight of Vancomycin Hydrochloride is 1483.41 g/mol.
Where can I buy Vancomycin Hydrochloride?
You can request a quote for Vancomycin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vancomycin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Vancomycin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.