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2-Hydroxygentamicin B

CAT: 0013-GTR19255784-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255784-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Hydroxygentamicin B is an aminoglycoside antibiotic with activity against both Gram-positive and Gram-negative bacteria.
CAS Number
78874-50-7
Field of Research
Infectious Disease & Virology
Smiles
OC1C (O) C (OC (CN) C1O) OC2C (O) C (OC3OCC (O) (C) C (NC) C3O) C (N) C (O) C2N
Molecular Formula
C19H38N4O11
Molecular Weight
498.525
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Aminomethyl)-6-[2,4-diamino-5-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxyoxane-3,4,5-triol
CAS Number78874-50-7
PubChem CID12774597
IUPAC Name2-(aminomethyl)-6-[2,4-diamino-5-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxyoxane-3,4,5-triol
Molecular FormulaC19H38N4O11
Molecular Weight498.5
XLogP-7.2
Topological Polar Surface Area269
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity682
SMILES
CC1(COC(C(C1NC)O)OC2C(C(C(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)O)N)O
InChI
InChI=1S/C19H38N4O11/c1-19(30)4-31-17(13(29)16(19)23-2)33-14-6(21)9(25)7(22)15(12(14)28)34-18-11(27)10(26)8(24)5(3-20)32-18/h5-18,23-30H,3-4,20-22H2,1-2H3
InChIKey
ZBCQUWFWAFMNFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Aminomethyl)-6-[2,4-diamino-5-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxyoxane-3,4,5-triol
CAS: 78874-50-7
CID: 12774597
Formula: C19H38N4O11
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
XLogP3-7.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass498.25370804
Monoisotopic Mass498.25370804
Topological Polar Surface Area269 Ų
Heavy Atom Count34
Formal Charge0
Complexity682
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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