MS 8209
TL;DR: MS 8209 (CAS 136458-97-4) is a chemical compound with molecular formula C67H104N2O27 and molecular weight 1368.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-4-[[(3S)-3-hydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-oxopropyl]amino]-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: MS 8209, 1-Deoxy-1-amino-4,6-O-benzylidene-fructosyl-amphotericin B, (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-Dihydroxy-4-[[(3S)-3-hydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-oxopropyl]amino]-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol, D-Glucitol, 1-deoxy-1-(methylamino)-, compd. with N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B (1:1), 1-Deoxy-1-amino-4,6-O-benzylidene-D-fructosyl Amphotericin B, N-methyl glucamine salt
| Molecular Formula | C67H104N2O27 |
|---|---|
| Molecular Weight | 1368.68 g/mol |
| LogP | -2.6106 |
| Topological Polar Surface Area | 494.79 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 15 |
| Exact Mass | 1368.6826 |
| Heavy Atoms | 96 |
| Complexity | 2648.0007 |
Chemical Identifiers
| CAS Number | 136458-97-4 |
|---|---|
| SMILES | C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)NCC(=O)[C@H]([C@H]4[C@@H](COC(O4)C5=CC=CC=C5)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
Product Overview
MS 8209 (CAS 136458-97-4), with molecular formula C67H104N2O27 and molecular weight 1368.68 g/mol. IUPAC: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-4-[[(3S)-3-hydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-oxopropyl]amino]-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of MS 8209
Property Insights of MS 8209
The XLogP value of -2.6106 indicates that MS 8209 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 494.79 Ų indicates high polarity, suggesting MS 8209 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MS 8209 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 MS 8209?
The CAS number of MS 8209 is 136458-97-4.
What is the molecular formula of MS 8209?
The molecular formula of MS 8209 is C67H104N2O27.
What is the molecular weight of MS 8209?
The molecular weight of MS 8209 is 1368.68 g/mol.
Where can I buy MS 8209?
You can request a quote for MS 8209 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MS 8209?
Yes, KEHONG BIO provides custom synthesis services for MS 8209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.