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123606-62-2 | Uridine, 2'-deoxy-, 5'-benzoate
CAS No: 123606-62-2 Catalog No: AG000KUV MDL No:
Product Description
Catalog Number:
AG000KUV
Chemical Name:
Uridine, 2'-deoxy-, 5'-benzoate
CAS Number:
123606-62-2
Molecular Formula:
C16H16N2O6
Molecular Weight:
332.3080
IUPAC Name:
[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C16H16N2O6/c19-11-8-14(18-7-6-13(20)17-16(18)22)24-12(11)9-23-15(21)10-4-2-1-3-5-10/h1-7,11-12,14,19H,8-9H2,(H,17,20,22)
InChI Key:
YZQWECMAHIKEMU-UHFFFAOYSA-N
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COC(=O)c1ccccc1)n1ccc(=O)[nH]c1=O
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.312g/mol
Monoisotopic Mass:
332.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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