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2-Thiouridine 2’,3’,5’-Triacetate

CAT: 0572-TRC-T384005-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T384005-1GSize:1 g
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CAS Number
28542-31-6
Synonyms
2,3-Dihydro-2-thioxo-1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-4(1H)-pyrimidinone
Hazard Statement
No Data Available
Smiles
CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)N2C=CC(=O)NC2=S
Molecular Formula
C15 H18 N2 O8 S
Molecular Weight
386.377
InChI
InChI=1S/C15H18N2O8S/c1-7(18)22-6-10-12(23-8(2)19)13(24-9(3)20)14(25-10)17-5-4-11(21)16-15(17)26/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,26)/t10-,12-,13-,14-/m1/s1
Additionnal Information
IUPAC name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl acetate
Shipping Conditions
Room Temperature

Chemical Information

2',3',5'-Tri-O-acetyl-2-thiouridine
CAS Number28542-31-6
PubChem CID22792088
IUPAC Name[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl acetate
Molecular FormulaC15H18N2O8S
Molecular Weight386.4
XLogP0.1
Topological Polar Surface Area153
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity664
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=S)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H18N2O8S/c1-7(18)22-6-10-12(23-8(2)19)13(24-9(3)20)14(25-10)17-5-4-11(21)16-15(17)26/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,26)/t10-,12-,13-,14-/m1/s1
InChIKey
YKDNCFTUUKOENT-FMKGYKFTSA-N
Chemical Structure
2D Structure
2D structure of 2',3',5'-Tri-O-acetyl-2-thiouridine
CAS: 28542-31-6
CID: 22792088
Formula: C15H18N2O8S
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass386.07838671
Monoisotopic Mass386.07838671
Topological Polar Surface Area153 Ų
Heavy Atom Count26
Formal Charge0
Complexity664
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

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Alternative Products

CatalogName
419209-012-Thiouridine 2’,3’,5’-Triacetate
sc-4749744-Thiouridine 2′,3′,5′-Triacetate
433465-014-Thiouridine 2’,3’,5’-Triacetate
NM159492-015-Methoxycarbonylmethyl-2-thiouridine
NM08039-015-Methyl-2-thiouridine
HY-1524655-Carboxymethyl-2-thiouridine
4346515- (Methoxycarbonylmethyl) -2-thiouridine
MBS58257575-Methoxy-2-thiouridine
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