Eremomycin derivative
TL;DR: Eremomycin derivative (CAS 270927-20-3) is a chemical compound with molecular formula C83H110ClN11O25 and molecular weight 1695.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-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)-15-chloro-N-decyl-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(39),35,37,46-pentadecaene-40-carboxamide
Also Known As: Eremomycin deriv., Eremomycin derivative, Eremomycin n-decylamide, Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-26-decarboxy-19-dechloro-26-((decylamino)carbonyl)-, (4''R)-, [(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,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-N-decyl-tetrahydroxy-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-pentaoxo-[?]carboxamide
| Molecular Formula | C83H110ClN11O25 |
|---|---|
| Molecular Weight | 1695.74 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 567.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 24 |
| Exact Mass | 1695.7363 |
| Heavy Atoms | 120 |
| Complexity | 3440.0 |
Chemical Identifiers
| CAS Number | 270927-20-3 |
|---|---|
| SMILES | CCCCCCCCCCNC(=O)[C@@H]1C2=C(C(=CC(=C2)O)O)C3=C(C=CC(=C3)[C@@H]4C(=O)N[C@@H]([C@@H](C5=CC=C(C=C5)OC6=C(C7=CC(=C6)[C@H](C(=O)N4)NC(=O)[C@@H](NC(=O)[C@@H](C(C8=CC(=C(O7)C=C8)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]2C[C@]([C@@H]([C@@H](O2)C)O)(C)N)O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(C)N)C(=O)N1)O |
| InChIKey | DBEKGPGGUCAQKL-XTQMZZGCSA-N |
Product Overview
Eremomycin derivative (CAS 270927-20-3), with molecular formula C83H110ClN11O25 and molecular weight 1695.74 g/mol. IUPAC: (1S,2R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-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)-15-chloro-N-decyl-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(39),35,37,46-pentadecaene-40-carboxamide.
Chemical Property Profile of Eremomycin derivative
Property Insights of Eremomycin derivative
The XLogP value of 3.1 indicates that Eremomycin derivative is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 567.0 Ų indicates high polarity, suggesting Eremomycin derivative may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eremomycin derivative has 20 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eremomycin derivative?
The CAS number of Eremomycin derivative is 270927-20-3.
What is the molecular formula of Eremomycin derivative?
The molecular formula of Eremomycin derivative is C83H110ClN11O25.
What is the molecular weight of Eremomycin derivative?
The molecular weight of Eremomycin derivative is 1695.74 g/mol.
Where can I buy Eremomycin derivative?
You can request a quote for Eremomycin derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eremomycin derivative?
Yes, KEHONG BIO provides custom synthesis services for Eremomycin derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.