Candidine, methyl ester, hydrochloride
TL;DR: Candidine, methyl ester, hydrochloride (CAS 39387-88-7) is a chemical compound with molecular formula C48H74ClNO17 and molecular weight 971.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium chloride
Also Known As: Candidine, methyl ester, hydrochloride, CANDIDIN, METHYL ESTER, HYDROCHLORIDE, Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo-, methyl ester, hydrochloride, Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo-, methyl ester, hydrochloride (9CI), [(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium chloride
| Molecular Formula | C48H74ClNO17 |
|---|---|
| Molecular Weight | 971.46 g/mol |
| LogP | -2.8619 |
| Topological Polar Surface Area | 314.91 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 3 |
| Exact Mass | 971.46454 |
| Heavy Atoms | 67 |
| Complexity | 1715.9628 |
Chemical Identifiers
| CAS Number | 39387-88-7 |
|---|---|
| SMILES | CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC(C(C(CC(=O)CC(C(CCC(=O)CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)C(=O)OC)O)O[C@H]2C(C([C@H](C(O2)C)O)[NH3+])O.[Cl-] |
Product Overview
Candidine, methyl ester, hydrochloride (CAS 39387-88-7), with molecular formula C48H74ClNO17 and molecular weight 971.46 g/mol. IUPAC: [(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium chloride.
Chemical Property Profile of Candidine, methyl ester, hydrochloride
Property Insights of Candidine, methyl ester, hydrochloride
The XLogP value of -2.8619 indicates that Candidine, methyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 314.91 Ų indicates high polarity, suggesting Candidine, methyl ester, hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Candidine, methyl ester, hydrochloride has 10 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 Candidine, methyl ester, hydrochloride?
The CAS number of Candidine, methyl ester, hydrochloride is 39387-88-7.
What is the molecular formula of Candidine, methyl ester, hydrochloride?
The molecular formula of Candidine, methyl ester, hydrochloride is C48H74ClNO17.
What is the molecular weight of Candidine, methyl ester, hydrochloride?
The molecular weight of Candidine, methyl ester, hydrochloride is 971.46 g/mol.
Where can I buy Candidine, methyl ester, hydrochloride?
You can request a quote for Candidine, methyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Candidine, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Candidine, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.