5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol; tris(sulfuric acid)

• ChemBase ID: 102195
• Molecular Formular: C23H52N6O25S3
• Molecular Mass: 908.87918
• Monoisotopic Mass: 908.21442419
• SMILES: NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.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(C(C1OC1OC(CN)C(C(C1N)O)O)O)OC1C(O)C(N)CC(C1OC1OC(CN)C(C(C1N)O)O)N
• InChI: InChI=1S/C23H46N6O13.3H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;3*1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;3*(H2,1,2,3,4)
• InChIKey: KWBUARAINLGYMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol; tris(sulfuric acid)
• IUPAC Traditional name: 5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol; tris(sulfuric acid)
• Synonyms: Neomycin B sulfate; Bykomcyin; Endomixin; Fraquinol; Myacine; Neosulf; Neomix; NEOMYCIN SULFATE

Database IDs

• CAS Number: 1405-10-3
• EC Number: 215-773-1
• PubChem SID: 162088609
• PubChem CID: 44134844

CALCULATED PROPERTIES

• Acid pKa: 12.291083
• H Acceptors: 19
• H Donor: 13
• LogD (pH = 5.5): -24.511583
• LogD (pH = 7.4): -15.933928
• Log P: -8.415177
• Molar Refractivity: 135.9003 cm^3
• Polarizability: 58.22208 Å^3
• Polar Surface Area: 353.11 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate, Protect from light
• RTECS: QP4375000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36
• Safety Statements: S:26

Product Information

• Purity: 90-95%

DETAILS

MP Biomedicals - 02100541

Minimum 630 μg Neomycin/mg
White powder.
Approx. 90-95% Neomycin B.
Antibiotic, also used in tissue culture studies.
Can act as an inhibitor of protein biosynthesis.