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N1-Benzyl pseudouridine

CAT: 0013-GTR19215402-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215402-01Size:5 mg
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Description
N1-Benzyl pseudouridine is a chemically modified C-nucleoside featuring an N-methylated base. This analog is used in biochemical research to study nucleoside metabolism and RNA modifications, with applications in both in vitro enzymatic assays and cellular studies exploring nucleotide function.
CAS Number
1613530-22-5
Field of Research
Cell Biology, Molecular Biology
Smiles
O[C@H]1[C@@H] (O[C@H] (CO) [C@H]1O) C=2C (=O) NC (=O) N (CC3=CC=CC=C3) C2
Molecular Formula
C16H18N2O6
Molecular Weight
334.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N1-Benzyl pseudouridine
CAS Number1613530-22-5
PubChem CID90220769
IUPAC Name1-benzyl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC16H18N2O6
Molecular Weight334.32
XLogP-1.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity531
SMILES
C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C16H18N2O6/c19-8-11-12(20)13(21)14(24-11)10-7-18(16(23)17-15(10)22)6-9-4-2-1-3-5-9/h1-5,7,11-14,19-21H,6,8H2,(H,17,22,23)/t11-,12-,13-,14+/m1/s1
InChIKey
UDWJDHVNBZRPBP-SYQHCUMBSA-N
Chemical Structure
2D Structure
2D structure of N1-Benzyl pseudouridine
CAS: 1613530-22-5
CID: 90220769
Formula: C16H18N2O6
MW: 334.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.32
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass334.11648630
Monoisotopic Mass334.11648630
Topological Polar Surface Area119 Ų
Heavy Atom Count24
Formal Charge0
Complexity531
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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HY-152345N1-Ethoxymethyl pseudouridine
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HY-152433N1- (1,1-Difluoroethyl) pseudouridine
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