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116383-58-5 | Uridine, 2'-bromo-2'-deoxy-5-(phenylmethyl)- (9CI)
CAS No: 116383-58-5 Catalog No: AG000CC6 MDL No:
Product Description
Catalog Number:
AG000CC6
Chemical Name:
Uridine, 2'-bromo-2'-deoxy-5-(phenylmethyl)- (9CI)
CAS Number:
116383-58-5
Molecular Formula:
C16H17BrN2O5
Molecular Weight:
397.2206
IUPAC Name:
5-benzyl-1-[3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C16H17BrN2O5/c17-12-13(21)11(8-20)24-15(12)19-7-10(14(22)18-16(19)23)6-9-4-2-1-3-5-9/h1-5,7,11-13,15,20-21H,6,8H2,(H,18,22,23)
InChI Key:
PQVFJDIYUAWERS-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)Br)n1cc(Cc2ccccc2)c(=O)[nH]c1=O
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.032g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
397.225g/mol
Monoisotopic Mass:
396.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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