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13030-62-1 | Uridine, 2'-deoxy-, 3',5'-diacetate
CAS No: 13030-62-1 Catalog No: AG000U9K MDL No:
Product Description
Catalog Number:
AG000U9K
Chemical Name:
Uridine, 2'-deoxy-, 3',5'-diacetate
CAS Number:
13030-62-1
Molecular Formula:
C13H16N2O7
Molecular Weight:
312.2753
IUPAC Name:
[(2R,3S,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)/t9-,10+,12+/m0/s1
InChI Key:
XCLQOCSQUSRPDH-HOSYDEDBSA-N
SMILES:
CC(=O)O[C@H]1C[C@@H](O[C@@H]1COC(=O)C)n1ccc(=O)[nH]c1=O
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
312.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.278g/mol
Monoisotopic Mass:
312.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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