3-Deoxo-3-hydroxycandicidin D
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 | 1110.5875 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 |
| Monoisotopic 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 1110.5875 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.
3-Deoxo-3-hydroxycandicidin D is a custom synthesis product. We offer services from milligram to kilogram scale.
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