RefChem:1076951
TL;DR: RefChem:1076951 (CAS 195193-90-9) is a chemical compound with molecular formula C59H94N2O26 and molecular weight 1246.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-aminobutanedioic acid;methyl (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-6-methyl-4-[methyl-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]oxan-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-carboxylate
Also Known As: N-Methyl-N-D-fructopyranosylamphotericin B methyl ester L-aspartate, Amphotericin B, N-(1-deoxy-D-fructos-1-yl)-N-methyl-, methyl ester, L-aspartate (1:1) (salt), N-(1-Deoxy-D-fructos-1-yl)-N-methylamphotericin B methyl ester L-aspartate (1:1) (salt), (2S)-2-aminobutanedioic acid;methyl (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-6-methyl-4-[methyl-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]oxan-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-carboxylate, Amphotericin B, N-(1-deoxy-D-fructos-1-yl)-N-methyl-, methyl ester, L- aspartate (1:1) (salt)
| Molecular Formula | C59H94N2O26 |
|---|---|
| Molecular Weight | 1246.61 g/mol |
| LogP | -2.7097 |
| Topological Polar Surface Area | 484.44 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 13 |
| Exact Mass | 1246.6095 |
| Heavy Atoms | 87 |
| Complexity | 2314.2942 |
Chemical Identifiers
| CAS Number | 195193-90-9 |
|---|---|
| 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)OC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N(C)CC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O.C([C@@H](C(=O)O)N)C(=O)O |
Product Overview
RefChem:1076951 (CAS 195193-90-9), with molecular formula C59H94N2O26 and molecular weight 1246.61 g/mol. IUPAC: (2S)-2-aminobutanedioic acid;methyl (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-6-methyl-4-[methyl-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]oxan-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-carboxylate.
Chemical Property Profile of RefChem:1076951
Property Insights of RefChem:1076951
The XLogP value of -2.7097 indicates that RefChem:1076951 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 484.44 Ų indicates high polarity, suggesting RefChem:1076951 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1076951 has 17 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1076951?
The CAS number of RefChem:1076951 is 195193-90-9.
What is the molecular formula of RefChem:1076951?
The molecular formula of RefChem:1076951 is C59H94N2O26.
What is the molecular weight of RefChem:1076951?
The molecular weight of RefChem:1076951 is 1246.61 g/mol.
Where can I buy RefChem:1076951?
You can request a quote for RefChem:1076951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076951?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.