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5-A-RU hydrochloride

CAT: 1410-M32757-01Size: 1 EachDry Ice: NoHazardous: No
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Description
5-A-RU hydrochloride (5-Amino-6- (D-ribitylamino) uracil hydrochloride) is an intermediate of bacterial riboflavin that activates mucosal-associated invariant T cells (MAIT) .5-A-RU is used in the study of breast and prostate cancer.
CAS Number
134452-11-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
312.71
Molecular Formula
C9H17ClN4O6
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

5-amino-6-{[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CAS Number134452-11-2
PubChem CID146026065
IUPAC Name5-amino-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride
Molecular FormulaC9H17ClN4O6
Molecular Weight312.71
Topological Polar Surface Area177
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity398
SMILES
C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N.Cl
InChI
InChI=1S/C9H16N4O6.ClH/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14;/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19);1H/t3-,4+,6-;/m0./s1
InChIKey
VGAFXPBLNINPEY-ZUOBHZEMSA-N
Chemical Structure
2D Structure
2D structure of 5-amino-6-{[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CAS: 134452-11-2
CID: 146026065
Formula: C9H17ClN4O6
MW: 312.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.71
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass312.0836620
Monoisotopic Mass312.0836620
Topological Polar Surface Area177 Ų
Heavy Atom Count20
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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