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188413-98-1 | Uridine, 2'-C-ethynyl-
CAS No: 188413-98-1 Catalog No: AG002GVB MDL No:
Product Description
Catalog Number:
AG002GVB
Chemical Name:
Uridine, 2'-C-ethynyl-
CAS Number:
188413-98-1
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
IUPAC Name:
1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C11H12N2O6/c1-2-11(18)8(16)6(5-14)19-9(11)13-4-3-7(15)12-10(13)17/h1,3-4,6,8-9,14,16,18H,5H2,(H,12,15,17)/t6-,8-,9-,11-/m1/s1
InChI Key:
KPLKOOBPQQYUTM-PNHWDRBUSA-N
SMILES:
OC[C@H]1O[C@H]([C@@]([C@@H]1O)(O)C#C)n1ccc(=O)[nH]c1=O
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
268.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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