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Queuine dihydrochloride

CAT: 0931-TN8050-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8050-01Size:10 mg
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CAS Number
86496-18-6
Bioactivity
Queuine dihydrochloride, a hypermodified nucleobase, is altered to form queuosine dihydrochloride. As a vital micronutrient, it is utilized in research on gastrointestinal microbiome-related diseases in humans.
Smiles
O[C@@H]([C@H](C=C1)O)[C@H]1NCC2=CNC(NC(N)=N3)=C2C3=O.Cl.Cl
Molecular Formula
C12H17Cl2N5O3
Molecular Weight
350.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Queuine (dihydrochloride)
CAS Number86496-18-6
PubChem CID137202996
IUPAC Name2-amino-5-[[[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;dihydrochloride
Molecular FormulaC12H17Cl2N5O3
Molecular Weight350.20
Topological Polar Surface Area136
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity466
SMILES
C1=C[C@@H]([C@@H]([C@H]1NCC2=CNC3=C2C(=O)NC(=N3)N)O)O.Cl.Cl
InChI
InChI=1S/C12H15N5O3.2ClH/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19;;/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20);2*1H/t6-,7-,9+;;/m0../s1
InChIKey
WDVWEMYKUJQOFQ-IOLCQTGRSA-N
Chemical Structure
2D Structure
2D structure of Queuine (dihydrochloride)
CAS: 86496-18-6
CID: 137202996
Formula: C12H17Cl2N5O3
MW: 350.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.20
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass349.0708448
Monoisotopic Mass349.0708448
Topological Polar Surface Area136 Ų
Heavy Atom Count22
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N10574A-01Queuine (dihydrochloride)
GTR19236140-01Queuine dihydrochloride
MBS5783737Queuine
MBS6109643-01Queuine Hydrochloride
489853QTRT1 (Queuine tRNA-Ribosyltransferase, Queuine tRNA-Ribosyltransferase 1)
489855QTRTD1 (Queuine tRNA-Ribosyltransferase Subunit QTRTD1, Queuine tRNA-Ribosyltransferase Domain Containing 1)
MBS1362858-01Recombinant Rat Queuine tRNA-ribosyltransferase (Qtrt1)
MBS1329292-01Recombinant Human Queuine tRNA-ribosyltransferase (QTRT1)
MBS140664-01Recombinant Human Queuine TRNA-Ribosyltransferase 1
MBS1324663-01Recombinant Mouse Queuine tRNA-ribosyltransferase (Qtrt1)

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