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2-Hydroxygentamicin C1

CAT: 0931-TN10518-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10518-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60609-40-7
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
2-Hydroxygentamicin C1 is an antibiotic of the gentamicin class, exhibiting activity against both Gram-positive and Gram-negative bacteria.
Smiles
OC1C(OCC(O)(C)C1NC)OC2C(O)C(OC3OC(CCC3N)C(NC)C)C(N)C(O)C2N
Molecular Formula
C21H43N5O8
Molecular Weight
493.595
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Hydroxygentamicin C1
CAS Number60609-40-7
PubChem CID88112
IUPAC Name2-[2,4-diamino-5-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Molecular FormulaC21H43N5O8
Molecular Weight493.6
XLogP-5.1
Topological Polar Surface Area220
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity667
SMILES
CC(C1CCC(C(O1)OC2C(C(C(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)O)N)N)NC
InChI
InChI=1S/C21H43N5O8/c1-8(25-3)10-6-5-9(22)19(32-10)33-16-11(23)13(27)12(24)17(14(16)28)34-20-15(29)18(26-4)21(2,30)7-31-20/h8-20,25-30H,5-7,22-24H2,1-4H3
InChIKey
VAVZWASKZVXMFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxygentamicin C1
CAS: 60609-40-7
CID: 88112
Formula: C21H43N5O8
MW: 493.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.6
XLogP3-5.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass493.31116335
Monoisotopic Mass493.31116335
Topological Polar Surface Area220 Ų
Heavy Atom Count34
Formal Charge0
Complexity667
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count14
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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