89987-43-9 Purity
96%
If you have any other questions or need other size, please get a quote.
The molecular formula of Neocopiamycin A is C53H93N3O17.
Neocopiamycin A was created on April 28, 2006.
The molecular weight of Neocopiamycin A is 1044.3 g/mol.
The IUPAC name of Neocopiamycin A is 3-[[(10Z,16E)-13-[(E)-12-(diaminomethylideneamino)-4-methyldodec-8-en-2-yl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid.
The InChIKey of Neocopiamycin A is GZWCSBWYVZFWGF-QVYWFGRKSA-N.
The Canonical SMILES of Neocopiamycin A is CC1CCC(C(C(CC(C(C=CC(=O)OC(C(C=CC(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)C(C)CC(C)CCCC=CCCCN=C(N)N)C)O)O)C)O.
The CAS number of Neocopiamycin A is 89989-28-6.
The XLogP3-AA value of Neocopiamycin A is 3.7.
Neocopiamycin A has 13 hydrogen bond donor counts.
Neocopiamycin A has 15 rotatable bond counts.