3-Deoxo-3-hydroxycandicidin D
TL;DR: 3-Deoxo-3-hydroxycandicidin D (CAS 58591-23-4) is a chemical compound with molecular formula C59H86N2O18 and molecular weight 1110.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
22-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-4,10,12,14,18,20-hexahydroxy-37-methyl-2,8,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
Also Known As: Levorin A3, 3-Deoxo-3-hydroxycandicidin D, FR-008I, (4E,6E,8E,10E,12E,14E,16E)-18-(4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl)oxy-2-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxo-heptan-2-yl]-20,22,26,28,30,36-hexahydroxy-3-methyl-24,32,38-trioxo-1-oxacyclooctatriaconta-4,6,8,10,12,14,16-heptaene-21-carboxylic
| Molecular Formula | C59H86N2O18 |
|---|---|
| Molecular Weight | 1110.59 g/mol |
| LogP | 3.4042 |
| Topological Polar Surface Area | 367.38 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 1110.5875 |
| Heavy Atoms | 79 |
| Complexity | 2261.1763 |
Chemical Identifiers
| CAS Number | 58591-23-4 |
|---|---|
| SMILES | CC1C=CC=CC=CC=CC=CC=CC=CC(CC(C(C(CC(=O)CC(CC(CC(CC(=O)CCCC(CC(=O)OC1C(C)CC(C)C(CC(=O)C2=CC=C(C=C2)N)O)O)O)O)O)O)C(=O)O)O)OC3C(C(C(C(O3)C)O)N)O |
Product Overview
3-Deoxo-3-hydroxycandicidin D (CAS 58591-23-4), with molecular formula C59H86N2O18 and molecular weight 1110.59 g/mol. IUPAC: 22-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-4,10,12,14,18,20-hexahydroxy-37-methyl-2,8,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid.
Chemical Property Profile of 3-Deoxo-3-hydroxycandicidin D
Property Insights of 3-Deoxo-3-hydroxycandicidin D
The XLogP value of 3.4042 indicates that 3-Deoxo-3-hydroxycandicidin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 367.38 Ų indicates high polarity, suggesting 3-Deoxo-3-hydroxycandicidin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Deoxo-3-hydroxycandicidin D has 12 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 3-Deoxo-3-hydroxycandicidin D?
The CAS number of 3-Deoxo-3-hydroxycandicidin D is 58591-23-4.
What is the molecular formula of 3-Deoxo-3-hydroxycandicidin D?
The molecular formula of 3-Deoxo-3-hydroxycandicidin D is C59H86N2O18.
What is the molecular weight of 3-Deoxo-3-hydroxycandicidin D?
The molecular weight of 3-Deoxo-3-hydroxycandicidin D is 1110.59 g/mol.
Where can I buy 3-Deoxo-3-hydroxycandicidin D?
You can request a quote for 3-Deoxo-3-hydroxycandicidin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deoxo-3-hydroxycandicidin D?
Yes, KEHONG BIO provides custom synthesis services for 3-Deoxo-3-hydroxycandicidin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.