2''-Formimidoylistamycin A
N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
Also Known As: 2''-Formimidoylistamycin A|N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide|5-Amino-3-hydroxy-2-{[N-(iminomethyl)glycyl](methyl)amino}-4-methoxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)hexopyranoside|L-chiro-Inositol, 4-amino-3-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-1,4,5-trideoxy-1-((((iminomethyl)amino)acetyl)methylamino)-6-O-methyl-
| Molecular Formula | C18H36N6O5 |
|---|---|
| Molecular Weight | 416.27472 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.27472 |
| Monoisotopic Mass | 416.27472 |
| Heavy Atoms | 29 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 81202-83-7 |
|---|---|
| SMILES | CNCC1CCC(C(O1)OC2CC(C(C(C2N(C)C(=O)CN=CN)O)OC)N)N |
| InChIKey | YHLFRQHBLKQPRR-UHFFFAOYSA-N |
Product Overview
2''-Formimidoylistamycin A (CAS 81202-83-7), with molecular formula C18H36N6O5 and molecular weight 416.27472 g/mol. IUPAC: N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide.