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Mnm5s2U

CAT: 0013-GTR19193480-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193480-02Size:100 mg
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Description
Mnm5s2U
CAS Number
32860-54-1
Field of Research
Cell Biology, Molecular Biology
Smiles
S=C1N (C=C (CNC) C (=O) N1) [C@@H]2O[C@H] (CO) [C@@H] (O) [C@H]2O
Molecular Formula
C11H17N3O5S
Molecular Weight
303.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Methylaminomethyl-2-thiouridine

5-Methylaminomethyl-2-thiouridine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

CAS Number32860-54-1
PubChem CID3036488
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylaminomethyl)-2-sulfanylidenepyrimidin-4-one
Molecular FormulaC11H17N3O5S
Molecular Weight303.34
XLogP-1.8
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity444
SMILES
CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H17N3O5S/c1-12-2-5-3-14(11(20)13-9(5)18)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,20)/t6-,7-,8-,10-/m1/s1
InChIKey
HXVKEKIORVUWDR-FDDDBJFASA-N
Chemical Structure
2D Structure
2D structure of 5-Methylaminomethyl-2-thiouridine
CAS: 32860-54-1
CID: 3036488
Formula: C11H17N3O5S
MW: 303.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.34
XLogP3-1.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass303.08889182
Monoisotopic Mass303.08889182
Topological Polar Surface Area146 Ų
Heavy Atom Count20
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T33463-01Mnm5s2U

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