bis(1-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine); tris(sulfuric acid)

• ChemBase ID: 102204
• Molecular Formular: C42H84N14O36S3
• Molecular Mass: 1457.38356
• Monoisotopic Mass: 1456.43347808
• SMILES: CNC1C(O)C(O)C(CO)OC1OC1C(OC(C)C1(O)C=O)OC1C(O)C(O)C(NC(=N)N)C(O)C1NC(=N)N.CNC1C(O)C(O)C(CO)OC1OC1C(OC(C)C1(O)C=O)OC1C(O)C(O)C(NC(=N)N)C(O)C1NC(=N)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=N)N)O)NC(=N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC.OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=N)N)O)NC(=N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC
• InChI: InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)
• InChIKey: QTENRWWVYAAPBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine); tris(sulfuric acid)
• IUPAC Traditional name: bis(@streptomycin); tris(sulfuric acid)
• Synonyms: Streptomycin Sesquisulfate; STREPTOMYCIN SULFATE; STREPTOMYCIN SULFATE SALT γ-IRRADIATED

Database IDs

• CAS Number: 3810-74-0
• EC Number: 223-286-0
• PubChem SID: 162088056
• PubChem CID: 44134949

CALCULATED PROPERTIES

• Acid pKa: 10.877018
• H Acceptors: 19
• H Donor: 14
• LogD (pH = 5.5): -13.912841
• LogD (pH = 7.4): -12.161263
• Log P: -7.651423
• Molar Refractivity: 149.4707 cm^3
• Polarizability: 52.500404 Å^3
• Polar Surface Area: 331.43 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 2-8°C; 2-8°C, Protect from light
• RTECS: WK4990000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

DETAILS

MP Biomedicals - 02100556

Sulfate Salt
White powder
Inhibits initiation and causes misreading of rRNA in protein synthesis.

MP Biomedicals - 02194541

Cell Culture Reagent
Sulfate Salt
White powder
Inhibits initiation and causes misreading of rRNA in protein synthesis.

MP Biomedicals - 02194797

γ-Irradiated
Molecular Biology Reagent
Sulfate Salt
Inhibits initiation and causes misreading of rRNA inhibiting protein synthesis.