6'-N-t-Butylsisomicin
2-[4,6-diamino-3-[[3-amino-5-[(tert-butylamino)methyl]-3,6-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Also Known As: 6'-N-tert-Butylsisomicin|6'-N-t-Butylsisomicin|C23H45N5O7.1/2H2O|C23-H45-N5-O7.1/2H2-O|D-Streptamine, 2-amino-2,3,4,6-tetradeoxy-6-((1,1-dimethylethyl)amino)-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl)-(1-6)-2-deoxy-, hemihydrate|2-[4,6-diamino-3-[[3-amino-5-[(tert-butylamino)methyl]-3,6-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol|4,6-Diamino-3-({3-amino-5-[(tert-butylamino)methyl]-3,6-dihydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)pentopyranoside
| Molecular Formula | C23H45N5O7 |
|---|---|
| Molecular Weight | 503.3319 g/mol |
| LogP | -2.7697 |
| Topological Polar Surface Area | 199.73 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.3319 |
| Monoisotopic Mass | 503.3319 |
| Heavy Atoms | 35 |
| Complexity | 733.53894 |
Chemical Identifiers
| CAS Number | 63142-39-2 |
|---|---|
| SMILES | CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C=C(CO3)CNC(C)(C)C)N)N)N)O |
Product Overview
6'-N-t-Butylsisomicin (CAS 63142-39-2), with molecular formula C23H45N5O7 and molecular weight 503.3319 g/mol. IUPAC: 2-[4,6-diamino-3-[[3-amino-5-[(tert-butylamino)methyl]-3,6-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.