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84052-69-7 | Uridine, 2'-deoxy-5-iodo-, 5'-pentanoate
CAS No: 84052-69-7 Catalog No: AG0050KI MDL No:
Product Description
Catalog Number:
AG0050KI
Chemical Name:
Uridine, 2'-deoxy-5-iodo-, 5'-pentanoate
CAS Number:
84052-69-7
Molecular Formula:
C14H19IN2O6
Molecular Weight:
438.2149
IUPAC Name:
[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl pentanoate
InChI:
InChI=1S/C14H19IN2O6/c1-2-3-4-12(19)22-7-10-9(18)5-11(23-10)17-6-8(15)13(20)16-14(17)21/h6,9-11,18H,2-5,7H2,1H3,(H,16,20,21)/t9-,10+,11+/m0/s1
InChI Key:
IXRSCWSJPFKHLV-HBNTYKKESA-N
SMILES:
CCCCC(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
438.029g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
438.218g/mol
Monoisotopic Mass:
438.029g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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