5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[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; sulfuric acid

• ChemBase编号: 104480
• 分子式: C23H47N5O18S
• 平均质量: 713.70698
• 单一同位素质量: 713.26368069
• SMILES: NCC1OC(OC2C(O)C(OC2CO)OC2C(O)C(N)CC(N)C2OC2OC(CO)C(O)C(O)C2N)C(N)C(O)C1O.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.OCC1OC(C(C1OC1OC(CN)C(C(C1N)O)O)O)OC1C(O)C(N)CC(C1OC1OC(CO)C(C(C1N)O)O)N
• InChI: InChI=1S/C23H45N5O14.H2O4S/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;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)
• InChIKey: LJRDOKAZOAKLDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[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; sulfuric acid
• IUPAC传统名: @paromomycin; sulfuric acid
• 别名: PAROMOMYCIN SULFATE

登记号

• CAS号: 1263-89-4
• EC号: 215-031-7
• PubChem SID: 162091564
• PubChem CID: 5458443

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

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: WK2320000

产品相关信息

• 纯度: ≥97%

详细说明

MP Biomedicals - 02156056

Purity: >97%

MP Biomedicals - 02194535

Cell Culture Reagent
Purity: >97% .