Pentisomicin
(2R,3R,4R,5R)-2-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
| Molecular Formula | C19H37N5O7 |
|---|---|
| Molecular Weight | 447.5 g/mol |
| LogP | -5.1 |
| Topological Polar Surface Area | 214.0 A2 |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.2693 |
| Heavy Atoms | 31 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 55870-64-9 |
|---|---|
| SMILES | CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O |
| InChIKey | URWAJWIAIPFPJE-VHLNBGGKSA-N |
📖 Product Overview
Pentisomicin (CAS: 55870-64-9) is a chemical compound with molecular formula C19H37N5O7 and molecular weight 447.5 g/mol. Its IUPAC systematic name is (2R,3R,4R,5R)-2-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.
URWAJWIAIPFPJE-VHLNBGGKSA-N.
SMILES: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O.
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