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88154-11-4 | Uridine, 6-butoxy-5-fluoro-5,6-dihydro-, 5'-hexanoate
CAS No: 88154-11-4 Catalog No: AG004E68 MDL No:
Product Description
Catalog Number:
AG004E68
Chemical Name:
Uridine, 6-butoxy-5-fluoro-5,6-dihydro-, 5'-hexanoate
CAS Number:
88154-11-4
Molecular Formula:
C19H31FN2O8
Molecular Weight:
434.4564
IUPAC Name:
[(2R,3S,4R,5R)-5-(6-butoxy-5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
InChI:
InChI=1S/C19H31FN2O8/c1-3-5-7-8-12(23)29-10-11-14(24)15(25)18(30-11)22-17(28-9-6-4-2)13(20)16(26)21-19(22)27/h11,13-15,17-18,24-25H,3-10H2,1-2H3,(H,21,26,27)/t11-,13?,14-,15-,17?,18-/m1/s1
InChI Key:
ZUKZRRAFZKGJGI-DQLZMTDLSA-N
SMILES:
CCCCOC1N(C(=O)NC(=O)C1F)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COC(=O)CCCCC
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
434.206g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
434.461g/mol
Monoisotopic Mass:
434.206g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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