CAS 1405-10-3|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; ...

General Information

Structure

Molecular Formula

C₂₃H₄₈N₆O₁₇S

Molecular Mass

712.72222

Exact Mass

712.27966511

Charge

InChI

InChI=1S/C23H46N6O13.H2O4S/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;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)

InChIKey

OIXVKQDWLFHVGR-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric 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

Calculated Properties

JChem

Acid pKa

12.291083

H Acceptors

H Donor

LogD (pH = 5.5)

-24.511583

LogD (pH = 7.4)

-15.933928

Log P

-8.415177

Molar Refractivity

135.9003

Polarizability

58.22208

Polar Surface Area

353.11

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

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; sulfuric acid

Synonyms

Mycaifradin sulfateBiosol VeterinaryNeobioticNEOMYCIN SULFATEFradiomycin sulfateOtobioticBykomycin

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; sulfuric acid

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties