Dodecahydroamphotericin A
TL;DR: Dodecahydroamphotericin A (CAS 40904-73-2) is a chemical compound with molecular formula C47H87NO17 and molecular weight 937.60 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,33S,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-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]nonatriacontane-36-carboxylic acid
Also Known As: Dodecahydroamphotericin A, Amphotericin B, tetradecahydro-, (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33S,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-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]nonatriacontane-36-carboxylic acid, (1S,3S,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriacontane-38-carboxylic acid
| Molecular Formula | C47H87NO17 |
|---|---|
| Molecular Weight | 937.60 g/mol |
| LogP | 2.2797 |
| Topological Polar Surface Area | 319.61 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 3 |
| Exact Mass | 937.5974 |
| Heavy Atoms | 65 |
| Complexity | 1349.3845 |
Chemical Identifiers
| CAS Number | 40904-73-2 |
|---|---|
| SMILES | C[C@H]1CCCCCCCCCCCCCC[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)N)O |
Product Overview
Dodecahydroamphotericin A (CAS 40904-73-2), with molecular formula C47H87NO17 and molecular weight 937.60 g/mol. IUPAC: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33S,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-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]nonatriacontane-36-carboxylic acid.
Chemical Property Profile of Dodecahydroamphotericin A
Property Insights of Dodecahydroamphotericin A
The XLogP value of 2.2797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dodecahydroamphotericin A. The TPSA of 319.61 Ų indicates high polarity, suggesting Dodecahydroamphotericin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dodecahydroamphotericin A has 12 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 Dodecahydroamphotericin A?
The CAS number of Dodecahydroamphotericin A is 40904-73-2.
What is the molecular formula of Dodecahydroamphotericin A?
The molecular formula of Dodecahydroamphotericin A is C47H87NO17.
What is the molecular weight of Dodecahydroamphotericin A?
The molecular weight of Dodecahydroamphotericin A is 937.60 g/mol.
Where can I buy Dodecahydroamphotericin A?
You can request a quote for Dodecahydroamphotericin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecahydroamphotericin A?
Yes, KEHONG BIO provides custom synthesis services for Dodecahydroamphotericin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.