(1S,2S,3S,4R,6S)-6-Amino-3-{[3-Deoxy-4-C-Methyl-3-(Methylamino)-beta-L-Arabinopyranosyl]Oxy}-4-(Ethylamino)-2-Hydroxycyclohexyl 2,6-Diamino-2,3,4,6-Tetradeoxy-alpha-D-Erythro-Hexopyranoside
[CAS# 59711-96-5]

Identification

• Name: (1S,2S,3S,4R,6S)-6-Amino-3-{[3-Deoxy-4-C-Methyl-3-(Methylamino)-beta-L-Arabinopyranosyl]Oxy}-4-(Ethylamino)-2-Hydroxycyclohexyl 2,6-Diamino-2,3,4,6-Tetradeoxy-alpha-D-Erythro-Hexopyranoside
• Synonyms: Etimicin
• Molecular Formula: C₂₁H₄₃N₅O₇
• Molecular Weight: 477.60
• CAS Registry Number: 59711-96-5
• SMILES: CCN[C@@H]1C[C@@H](C([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N
• InChI: 1S/C21H43N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h10-20,25-29H,4-9,22-24H2,1-3H3/t10-,11+,12-,13+,14-,15+,16?,17-,18+,19+,20+,21-/m0/s1
• InChIKey: NZGMVSJQULXLHF-GKXRZTCBSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 683.444°C at 760 mmHg (Cal.)
• Flash point: 367.134°C (Cal.)