(2R,3S,6R)-5-amino-2-(aminomethyl)-6-{[(2R,4S,5S)-5-{[(1R,2R,5R)-3,5-diamino-2-{[(2S,3S,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol

• ChemBase编号: 176162
• 分子式: C23H45N5O14
• 平均质量: 615.6285
• 单一同位素质量: 615.29630115
• SMILES: O1[C@@H](C(C([C@@H]([C@H]1CN)O)O)N)OC1[C@@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@@H](C(C[C@H](C1O)N)N)O[C@H]1OC([C@H](C([C@H]1N)O)O)CO)O
• Canonical SMILES: OC[C@H]1O[C@H]([C@H](C1O[C@H]1O[C@H](CN)[C@H](C(C1N)O)O)O)O[C@@H]1C(O)[C@H](N)CC([C@H]1O[C@H]1OC(CO)[C@H](C([C@H]1N)O)O)N
• InChI: InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6?,7-,8?,9-,10?,11+,12?,13-,14-,15?,16?,17+,18-,19?,20-,21-,22-,23+/m1/s1
• InChIKey: UOZODPSAJZTQNH-UDDRFAPDSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3S,6R)-5-amino-2-(aminomethyl)-6-{[(2R,4S,5S)-5-{[(1R,2R,5R)-3,5-diamino-2-{[(2S,3S,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol
• IUPAC传统名: (2R,3S,6R)-5-amino-2-(aminomethyl)-6-{[(2R,4S,5S)-5-{[(1R,2R,5R)-3,5-diamino-2-{[(2S,3S,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol
• 别名: O-2,6-Diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-O-β-D-ribofuranosyl-(1→5)-O-[2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-D-Streptamine Sulfate; O-2-Amino-2-deoxy-α-D-glucopyranosyl-(1→4)-O-[O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-β-D-ribofuranosyl-(1→5)]-2-deoxy-D-streptamine Sulfate; 1600 Antibiotic; Aminosidin Sulfate; Aminosidine Sulfate; Aminoxidin; FI 5853; Farmiglucin; Farminosidin; Gabbroral; Humagel; Humatin; Humycin Sulfate; Paramicina; Pargonyl; Paricina; Sinosid; Paromomycin Sulfate

登记号

• CAS号: 1263-89-4
• PubChem SID: 164232072
• PubChem CID: 71751432

理论计算性质

• Acid pKa: 12.227455
• 质子受体: 19
• 质子供体: 13
• LogD (pH = 5.5): -21.56059
• LogD (pH = 7.4): -14.423654
• Log P: -8.308296
• 摩尔折射率: 134.2428 cm^3
• 极化性: 57.386707 Å^3
• 极化表面积: 347.32 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - P205650

an aminogycoside antibiotic designed to fight intestinal infections such as cryptosporidiosis, amoebiasis, and leishmaniasis. Its antiprotozoal activity makes it an effecive histomonostatic feed additive in turkey poults experimentally infected with Histo

参考文献

• Rehg, J.E. et al.: J. Infect. Dis., 170, 934 (1994)
• Fong, D. et al.: Am. J. Trop. Med. Hyg., 51, 758 (1994)
• Hafez, H.M. et al.: Arch. Anim. Nut., 64, 77 (1994)