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138098-66-5 | Uridine, 2',3'-dideoxy-3'-hexyl- (9CI)
CAS No: 138098-66-5 Catalog No: AG0017Z3 MDL No:
Product Description
Catalog Number:
AG0017Z3
Chemical Name:
Uridine, 2',3'-dideoxy-3'-hexyl- (9CI)
CAS Number:
138098-66-5
Molecular Formula:
C15H24N2O4
Molecular Weight:
296.3621
IUPAC Name:
1-[(2R,4S,5S)-4-hexyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C15H24N2O4/c1-2-3-4-5-6-11-9-14(21-12(11)10-18)17-8-7-13(19)16-15(17)20/h7-8,11-12,14,18H,2-6,9-10H2,1H3,(H,16,19,20)/t11-,12+,14+/m0/s1
InChI Key:
YVIKNZGNMCTFGC-OUCADQQQSA-N
SMILES:
CCCCCC[C@H]1C[C@@H](O[C@@H]1CO)n1ccc(=O)[nH]c1=O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
296.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.367g/mol
Monoisotopic Mass:
296.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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