Gentamicin

C21H43N5O7 — CID 3467

IUPAC2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
SMILESCC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC
InChIInChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3
InChIKeyCEAZRRDELHUEMR-UHFFFAOYSA-N
MW477.60 g/mol
LogP-4.10
Rot. Bonds7

About Gentamicin

Gentamicin (PubChem CID 3467) has the molecular formula C21H43N5O7 and a molecular weight of 477.60 g/mol. Its IUPAC name is 2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

Molecular Properties

Compound NameGentamicin
PubChem CID3467
Molecular FormulaC21H43N5O7
Molecular Weight477.60 g/mol
Exact Mass477.32
IUPAC Name2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
SMILESCC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC
InChIInChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3
InChIKeyCEAZRRDELHUEMR-UHFFFAOYSA-N
XLogP-4.10
TPSA200.00 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms33
Complexity636

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500477.60
LogP ≤ 5-4.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze Gentamicin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Kanamycin
CID 6032
Tobramycin
CID 36294
Apramycin
CID 3081545
Gentamicin Sulfate
CID 9855350
Gentamicin C1A
CID 72396
Geneticin
CID 123865
Kanamycin B
CID 439318
Hygromycin B
CID 56928061
Dibekacin
CID 470999
Isepamicin
CID 3037209
Gentamicin C1
CID 72395
Micronomicin
CID 3037206

Frequently Asked Questions

What is the IUPAC name of Gentamicin?
The IUPAC name of Gentamicin (CID 3467) is 2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.
What is the SMILES notation for Gentamicin?
The canonical SMILES for Gentamicin is CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC.
What is the InChIKey of Gentamicin?
The InChIKey is CEAZRRDELHUEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3.
What are the key properties of Gentamicin?
Gentamicin has a molecular weight of 477.60 g/mol, XLogP of -4.10, 7 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for Gentamicin is sourced from PubChem (CID 3467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).