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129263-52-1 | Uridine, 5-(2-bromoethenyl)- (9CI)
CAS No: 129263-52-1 Catalog No: AG000Z0W MDL No:
Product Description
Catalog Number:
AG000Z0W
Chemical Name:
Uridine, 5-(2-bromoethenyl)- (9CI)
CAS Number:
129263-52-1
Molecular Formula:
C11H13BrN2O6
Molecular Weight:
349.1347
IUPAC Name:
5-(2-bromoethenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/t6-,7-,8-,10-/m1/s1
InChI Key:
GCQYYIHYQMVWLT-FDDDBJFASA-N
SMILES:
BrC=Cc1cn(c(=O)[nH]c1=O)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
347.996g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
349.137g/mol
Monoisotopic Mass:
347.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.9
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