CAS 79645-27-5|Gernebcin|TOBRAMYCIN SULFATE, USP GRADE|4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol; sulfuric ...

General Information

Structure

Molecular Formula

C₁₈H₃₉N₅O₁₃S

Molecular Mass

565.59296

Exact Mass

565.22650733

Charge

InChI

InChI=1S/C18H37N5O9.H2O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-5(2,3)4/h5-18,24-28H,1-4,19-23H2;(H2,1,2,3,4)

InChIKey

ZEUUPKVZFKBXPW-UHFFFAOYSA-N

Canonic Smiles

OS(=O)(=O)O.NCC1OC(OC2C(N)CC(C(C2O)OC2OC(CO)C(C(C2O)N)O)N)C(CC1O)N

Isomeric Smiles

NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O.OS(=O)(=O)O

Calculated Properties

JChem

Acid pKa

12.542545

H Acceptors

H Donor

LogD (pH = 5.5)

-20.344318

LogD (pH = 7.4)

-13.627587

Log P

-6.4775004

Molar Refractivity

106.6949

Polarizability

45.42405

Polar Surface Area

268.17

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

GernebcinTOBRAMYCIN SULFATE, USP GRADEObracineNebcinD-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-->6)-O-[2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl-(1-->4)]-2-deoxy-, sulfate salt (2:5)

IUPAC name

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

IUPAC Traditional name

@tobramycin; sulfuric acid

Names and Identifiers

Registration numbers

CAS Number

79645-27-5

EC Number

256-499-2

PubChem CID

54413