盐酸万古霉素(分子生物学级)
TL;DR: 盐酸万古霉素(分子生物学级) (CAS 1404-93-9) 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.
盐酸万古霉素(分子生物学级)
(1S,2R,18R,22S,25R,28R,40R)-48-[(2R,3S,4R,5R,6S)-3-[(2R,4R,5R,6R)-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: Vancoled, Vancomycin HCL, Vancomycine, Vancocin HCL, AeroVanc
| Molecular Formula | C66H76Cl3N9O24 |
|---|---|
| Molecular Weight | 1483.41 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 530.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 13 |
| Exact Mass | 1483.4069 |
| Heavy Atoms | 102 |
| Complexity | 2960.0 |
Chemical Identifiers
| CAS Number | 1404-93-9 |
|---|---|
| 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(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 |
| InChIKey | LCTORFDMHNKUSG-GXOKSPCMSA-N |
Product Overview
盐酸万古霉素(分子生物学级) (CAS 1404-93-9), with molecular formula C66H76Cl3N9O24 and molecular weight 1483.41 g/mol. IUPAC: (1S,2R,18R,22S,25R,28R,40R)-48-[(2R,3S,4R,5R,6S)-3-[(2R,4R,5R,6R)-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 盐酸万古霉素(分子生物学级)
Property Insights of 盐酸万古霉素(分子生物学级)
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 盐酸万古霉素(分子生物学级). The TPSA of 530.0 Ų indicates high polarity, suggesting 盐酸万古霉素(分子生物学级) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 盐酸万古霉素(分子生物学级) has 20 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 盐酸万古霉素(分子生物学级)?
The CAS number of 盐酸万古霉素(分子生物学级) is 1404-93-9.
What is the molecular formula of 盐酸万古霉素(分子生物学级)?
The molecular formula of 盐酸万古霉素(分子生物学级) is C66H76Cl3N9O24.
What is the molecular weight of 盐酸万古霉素(分子生物学级)?
The molecular weight of 盐酸万古霉素(分子生物学级) is 1483.41 g/mol.
Where can I buy 盐酸万古霉素(分子生物学级)?
You can request a quote for 盐酸万古霉素(分子生物学级) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盐酸万古霉素(分子生物学级)?
Yes, KEHONG BIO provides custom synthesis services for 盐酸万古霉素(分子生物学级) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.