Candidoin
TL;DR: Candidoin (CAS 65776-69-4) is a chemical compound with molecular formula C54H81NO19 and molecular weight 1047.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-[(3S,4S,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,6,12,16,18-pentahydroxy-36-[(5S,6S)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-11,35,37,38-tetramethyl-2,8,14-trioxo-1-oxacyclooctatriaconta-21,23,25,27,29,31,33-heptaene-17-carboxylic acid
Also Known As: Candidoin, (6E,8E,10E,12E,14E,16E,18E)-20-[(3S,4S,5S,6S)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-22,24,28,34,36-pentahydroxy-4-[(5S,6S)-5-hydroxy-6-methyl-4-oxo-oxan-2-yl]oxy-2,3,5,29-tetramethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptae, 20-[(3S,4S,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,6,12,16,18-pentahydroxy-36-[(5S,6S)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-11,35,37,38-tetramethyl-2,8,14-trioxo-1-oxacyclooctatriaconta-21,23,25,27,29,31,33-heptaene-17-carboxylic acid
| Molecular Formula | C54H81NO19 |
|---|---|
| Molecular Weight | 1047.54 g/mol |
| LogP | 2.1269 |
| Topological Polar Surface Area | 339.59 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 5 |
| Exact Mass | 1047.5403 |
| Heavy Atoms | 74 |
| Complexity | 1999.0906 |
Chemical Identifiers
| CAS Number | 65776-69-4 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@@H]([C@@H](C(O1)OC2CC(C(C(CC(=O)CC(C(CCC(=O)CC(CC(CC(=O)OC(C(C(C(C=CC=CC=CC=CC=CC=CC=C2)C)OC3CC(=O)[C@H]([C@@H](O3)C)O)C)C)O)O)C)O)O)C(=O)O)O)O)N)O |
Product Overview
Candidoin (CAS 65776-69-4), with molecular formula C54H81NO19 and molecular weight 1047.54 g/mol. IUPAC: 20-[(3S,4S,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,6,12,16,18-pentahydroxy-36-[(5S,6S)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-11,35,37,38-tetramethyl-2,8,14-trioxo-1-oxacyclooctatriaconta-21,23,25,27,29,31,33-heptaene-17-carboxylic acid.
Chemical Property Profile of Candidoin
Property Insights of Candidoin
The XLogP value of 2.1269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Candidoin. The TPSA of 339.59 Ų indicates high polarity, suggesting Candidoin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Candidoin has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Candidoin?
The CAS number of Candidoin is 65776-69-4.
What is the molecular formula of Candidoin?
The molecular formula of Candidoin is C54H81NO19.
What is the molecular weight of Candidoin?
The molecular weight of Candidoin is 1047.54 g/mol.
Where can I buy Candidoin?
You can request a quote for Candidoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Candidoin?
Yes, KEHONG BIO provides custom synthesis services for Candidoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.