Chloroorienticin E
TL;DR: Chloroorienticin E (CAS 118373-84-5) is a chemical compound with molecular formula C67H77Cl2N9O24 and molecular weight 1461.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-5-hydroxy-4,6-dimethyloxan-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-48-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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 E, Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-2'-O-de(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-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-48-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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 | C67H77Cl2N9O24 |
|---|---|
| Molecular Weight | 1461.45 g/mol |
| LogP | 0.4484 |
| Topological Polar Surface Area | 521.7 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 13 |
| Exact Mass | 1461.4458 |
| Heavy Atoms | 102 |
| Complexity | 4108.8745 |
Chemical Identifiers
| CAS Number | 118373-84-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)C6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)OC9C(C(C(C(O9)CO)O)O)O)OC1=C(C=C(C=C1)C(C(C(=O)NC(C(=O)N6)CC(=O)N)NC(=O)C(CC(C)C)N(C)C)O)Cl)O)C(=O)O)(C)N)O |
Product Overview
Chloroorienticin E (CAS 118373-84-5), with molecular formula C67H77Cl2N9O24 and molecular weight 1461.45 g/mol. IUPAC: 2-(4-amino-5-hydroxy-4,6-dimethyloxan-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-48-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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.
Chemical Property Profile of Chloroorienticin E
Property Insights of Chloroorienticin E
The XLogP value of 0.4484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroorienticin E. The TPSA of 521.7 Ų indicates high polarity, suggesting Chloroorienticin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chloroorienticin E has 18 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 Chloroorienticin E?
The CAS number of Chloroorienticin E is 118373-84-5.
What is the molecular formula of Chloroorienticin E?
The molecular formula of Chloroorienticin E is C67H77Cl2N9O24.
What is the molecular weight of Chloroorienticin E?
The molecular weight of Chloroorienticin E is 1461.45 g/mol.
Where can I buy Chloroorienticin E?
You can request a quote for Chloroorienticin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroorienticin E?
Yes, KEHONG BIO provides custom synthesis services for Chloroorienticin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.