2-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol; 2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol; 2-{[4,6-diamino-3-({3-amino-6-[1-(methylamino)ethyl]oxan-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid

• ChemBase编号: 102896
• 分子式: C60H125N15O25S
• 平均质量: 1488.785
• 单一同位素质量: 1487.86917558
• SMILES: CNC(C)C1CCC(N)C(O1)OC1C(N)CC(N)C(OC2OCC(C)(O)C(NC)C2O)C1O.CNC1C(O)C(OCC1(C)O)OC1C(N)CC(N)C(OC2OC(CN)CCC2N)C1O.CNC1C(O)C(OCC1(C)O)OC1C(N)CC(N)C(OC2OC(CCC2N)C(C)N)C1O.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.CNC1C(O)C(OCC1(C)O)OC1C(N)CC(C(C1O)OC1OC(CCC1N)C(N)C)N.CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C.NCC1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N
• InChI: InChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7.H2O4S/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;1-5(2,3)4/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3;(H2,1,2,3,4)
• InChIKey: RDEIXVOBVLKYNT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol; 2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol; 2-{[4,6-diamino-3-({3-amino-6-[1-(methylamino)ethyl]oxan-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid
• IUPAC传统名: 2-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol; 2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol; refobacin; sulfuric acid
• 别名: Garamycin; Genoptic; GM Sulfate; GENTAMYCIN SULFATE SOLUTION-10 U.S.P.

登记号

• CAS号: 1405-41-0
• EC号: 215-778-9
• PubChem SID: 162088778
• PubChem CID: 44134731

理论计算性质

• Acid pKa: 12.549178
• 质子受体: 12
• 质子供体: 8
• LogD (pH = 5.5): -17.685123
• LogD (pH = 7.4): -11.792577
• Log P: -3.1371555
• 摩尔折射率: 118.0207 cm^3
• 极化性: 49.566326 Å^3
• 极化表面积: 199.73 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 218-237°C (as powder)

安全信息

• 保存条件: 2-8°C
• RTECS编号: LY2625000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: R:36/37/38
• 安全公开号: S:20-25-26-37/39

产品相关信息

• 级别: USP

详细说明

MP Biomedicals - 02105030

Bactericidal antibiotic of the aminoglycoside group
U.S.P. quality.
Conc: 10mg/ml.