39443-39-5 Purity
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Specification
The molecular formula of neamine is C12H26N4O6.
The molecular weight of neamine is 322.36 g/mol.
The IUPAC name of neamine is (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol.
The InChI of neamine is InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1.
The canonical SMILES of neamine is C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)O)O)N.
The CAS number of neamine is 3947-65-7.
The UNII of neamine is 5981U00LY0.
The ChEMBL ID of neamine is CHEMBL427409.
The NCI Thesaurus Code of neamine is C76155.
The topological polar surface area of neamine is 204 ?2.