Eremomycin deriv.
TL;DR: Eremomycin deriv. (CAS 193685-70-0) is a chemical compound with molecular formula C84H112ClN11O26 and molecular weight 1725.75 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)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-48-[(3R,4S,5S,6R)-3-[(2R,4S,5R,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)-15-chloro-36-[(decylamino)methyl]-18,32,35,37-tetrahydroxy-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(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 deriv., Eremomycin derivative, (1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-48-[(3R,4S,5S,6R)-3-[(2R,4S,5R,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)-15-chloro-36-[(decylamino)methyl]-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43, [(2S,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-[(3R,4S,5S,6R)-3-[(2S,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-(2-amino-2-oxo-ethyl)-chloro-[(decylamino)methyl]-tetrahydroxy-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-pentaoxo-[?]carboxylic acid, Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-.alpha.-L-arabino-hexopyranosyl)-19-dechloro-29-[(decylamino)methyl]-
| Molecular Formula | C84H112ClN11O26 |
|---|---|
| Molecular Weight | 1725.75 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 587.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 26 |
| Exact Mass | 1725.7468 |
| Heavy Atoms | 122 |
| Complexity | 3490.0 |
Chemical Identifiers
| CAS Number | 193685-70-0 |
|---|---|
| SMILES | CCCCCCCCCCNCC1=C(C=C2[C@H](NC(=O)[C@@H]3[C@@H](C4=CC=C(C=C4)OC5=C(C6=CC(=C5)[C@H](C(=O)N[C@H](C7=CC(=C(C=C7)O)C2=C1O)C(=O)N3)NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C8=CC(=C(O6)C=C8)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)OC9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)C(=O)O)O |
| InChIKey | JTDAROZMRNESRQ-KEEUIRLWSA-N |
Product Overview
Eremomycin deriv. (CAS 193685-70-0), with molecular formula C84H112ClN11O26 and molecular weight 1725.75 g/mol. IUPAC: (1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-48-[(3R,4S,5S,6R)-3-[(2R,4S,5R,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)-15-chloro-36-[(decylamino)methyl]-18,32,35,37-tetrahydroxy-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(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 deriv.
Property Insights of Eremomycin deriv.
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eremomycin deriv.. The TPSA of 587.0 Ų indicates high polarity, suggesting Eremomycin deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eremomycin deriv. has 21 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eremomycin deriv.?
The CAS number of Eremomycin deriv. is 193685-70-0.
What is the molecular formula of Eremomycin deriv.?
The molecular formula of Eremomycin deriv. is C84H112ClN11O26.
What is the molecular weight of Eremomycin deriv.?
The molecular weight of Eremomycin deriv. is 1725.75 g/mol.
Where can I buy Eremomycin deriv.?
You can request a quote for Eremomycin deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eremomycin deriv.?
Yes, KEHONG BIO provides custom synthesis services for Eremomycin deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.