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 ID: 104480
• Molecular Formular: C23H47N5O18S
• Molecular Mass: 713.70698
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 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 Traditional name: @paromomycin; sulfuric acid
• Synonyms: PAROMOMYCIN SULFATE

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 12.227455
• H Acceptors: 19
• H Donor: 13
• LogD (pH = 5.5): -21.56059
• LogD (pH = 7.4): -14.423654
• Log P: -8.308296
• Molar Refractivity: 134.2428 cm^3
• Polarizability: 57.386707 Å^3
• Polar Surface Area: 347.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: WK2320000

Product Information

• Purity: ≥97%

DETAILS

MP Biomedicals - 02156056

Purity: >97%

MP Biomedicals - 02194535

Cell Culture Reagent
Purity: >97% .