Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-
TL;DR: Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl- (CAS 562105-25-3) is a chemical compound with molecular formula C57H56ClN7O16 and molecular weight 1129.35 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)-36-(2-adamantylmethyl)-19-amino-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-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(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34,36,38,46-pentadecaene-40-carboxylic acid
Also Known As: Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-, 29-(2-Admantyl)methyleremomycin aglycone hexapeptide, Vancomycin, 44-O-de(2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-.alpha.-L-lyxo-hexopyranosyl)-.beta.-D-glucopyranosyl)-19-dechloro-49-de(4-methyl-2-(methylamino)-1-oxopentyl)-29-(tricyclo(3.3.1.13,7)dec-2-ylmethyl)-
| Molecular Formula | C57H56ClN7O16 |
|---|---|
| Molecular Weight | 1129.35 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 392.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 5 |
| Exact Mass | 1129.3472 |
| Heavy Atoms | 81 |
| Complexity | 2360.0 |
Chemical Identifiers
| CAS Number | 562105-25-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3CC4=C(C=C5[C@H](NC(=O)[C@@H]6[C@@H](C7=CC=C(C=C7)OC8=C(C9=CC(=C8)[C@H](C(=O)N[C@H](C1=CC(=C(C=C1)O)C5=C4O)C(=O)N6)NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C1=CC(=C(O9)C=C1)Cl)O)N)CC(=O)N)O)O)C(=O)O)O |
| InChIKey | VADYNDIXZGALFR-ORAWRPTHSA-N |
Product Overview
Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl- (CAS 562105-25-3), with molecular formula C57H56ClN7O16 and molecular weight 1129.35 g/mol. IUPAC: (1S,2R,18R,19R,22S,25R,28R,40S)-36-(2-adamantylmethyl)-19-amino-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-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(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34,36,38,46-pentadecaene-40-carboxylic acid.
Chemical Property Profile of Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-
Property Insights of Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-. The TPSA of 392.0 Ų indicates high polarity, suggesting Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl- has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-?
The CAS number of Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl- is 562105-25-3.
What is the molecular formula of Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-?
The molecular formula of Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl- is C57H56ClN7O16.
What is the molecular weight of Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-?
The molecular weight of Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl- is 1129.35 g/mol.
Where can I buy Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-?
You can request a quote for Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl-?
Yes, KEHONG BIO provides custom synthesis services for Eremomycin aglycone hexapeptide, 29-(2-admantyl)methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.