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13860-38-3 | 2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-β-D-ribofuranosyl-
CAS No: 13860-38-3 Catalog No: AG0018UH MDL No:
Product Description
Catalog Number:
AG0018UH
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-β-D-ribofuranosyl-
CAS Number:
13860-38-3
Molecular Formula:
C10H14N2O6
Molecular Weight:
258.2280
IUPAC Name:
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H14N2O6/c1-12-2-4(9(16)11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,8+/m1/s1
InChI Key:
UVBYMVOUBXYSFV-XUTVFYLZSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1cn(C)c(=O)[nH]c1=O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
258.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
258.23g/mol
Monoisotopic Mass:
258.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
Literature
| Title | Journal |
|---|---|
| The archaeal COG1901/DUF358 SPOUT-methyltransferase members, together with pseudouridine synthase Pus10, catalyze the formation of 1-methylpseudouridine at position 54 of tRNA. | RNA (New York, N.Y.) 20120301 |
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