6'-N-(2-Phenylethyl)sisomicin
2-[4,6-diamino-3-[[3-amino-5-[(2-phenylethylamino)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-(2-Phenylethyl)sisomicin|C27H45N5O7.1/2H2O|C27-H45-N5-O7.1/2H2-O|D-Streptamine, O-2-amino-2,3,4,6-tetradeoxy-6-((2-phenylethyl)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-[(phenethylamino)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-{[(2-phenylethyl)amino]methyl}-3,6-dihydro-2H-pyran-2-yl)oxy]-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)pentopyranoside
| Molecular Formula | C27H45N5O7 |
|---|---|
| Molecular Weight | 551.3319 g/mol |
| LogP | -2.3255 |
| Topological Polar Surface Area | 199.73 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 551.3319 |
| Monoisotopic Mass | 551.3319 |
| Heavy Atoms | 39 |
| Complexity | 938.3608 |
Chemical Identifiers
| CAS Number | 63142-40-5 |
|---|---|
| SMILES | CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C=C(CO3)CNCCC4=CC=CC=C4)N)N)N)O |
Product Overview
6'-N-(2-Phenylethyl)sisomicin (CAS 63142-40-5), with molecular formula C27H45N5O7 and molecular weight 551.3319 g/mol. IUPAC: 2-[4,6-diamino-3-[[3-amino-5-[(2-phenylethylamino)methyl]-3,6-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.