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114039-30-4 | Uridine, 5'-deoxy-5-ethyl-5'-iodo- (9CI)
CAS No: 114039-30-4 Catalog No: AG000ACE MDL No:
Product Description
Catalog Number:
AG000ACE
Chemical Name:
Uridine, 5'-deoxy-5-ethyl-5'-iodo- (9CI)
CAS Number:
114039-30-4
Molecular Formula:
C11H15IN2O5
Molecular Weight:
382.1517
IUPAC Name:
1-[3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H15IN2O5/c1-2-5-4-14(11(18)13-9(5)17)10-8(16)7(15)6(3-12)19-10/h4,6-8,10,15-16H,2-3H2,1H3,(H,13,17,18)
InChI Key:
INEMWYHYZUWXGZ-UHFFFAOYSA-N
SMILES:
IC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(CC)c(=O)[nH]c1=O
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.003g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
382.154g/mol
Monoisotopic Mass:
382.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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