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2-Hydroxygentamicin B1

CAT: 0931-TN9947-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9947-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78874-51-8
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
2-Hydroxygentamicin B1 is an aminoglycoside antibiotic that exhibits activity against both Gram-positive and Gram-negative bacteria.
Smiles
OC1C(O)C(OC(C1O)C(N)C)OC2C(O)C(OC3OCC(O)(C)C(NC)C3O)C(N)C(O)C2N
Molecular Formula
C20H40N4O11
Molecular Weight
512.552
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(1-Aminoethyl)-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 Number78874-51-8
PubChem CID12774600
IUPAC Name2-(1-aminoethyl)-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 FormulaC20H40N4O11
Molecular Weight512.6
XLogP-6.7
Topological Polar Surface Area269
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity712
SMILES
CC(C1C(C(C(C(O1)OC2C(C(C(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)O)N)O)O)O)N
InChI
InChI=1S/C20H40N4O11/c1-5(21)14-10(27)9(26)11(28)19(33-14)35-16-7(23)8(25)6(22)15(12(16)29)34-18-13(30)17(24-3)20(2,31)4-32-18/h5-19,24-31H,4,21-23H2,1-3H3
InChIKey
MVHIRVPPVZSZOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-Aminoethyl)-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: 78874-51-8
CID: 12774600
Formula: C20H40N4O11
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP3-6.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass512.26935810
Monoisotopic Mass512.26935810
Topological Polar Surface Area269 Ų
Heavy Atom Count35
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count16
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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