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Home > Fluorides > 141482-25-9
141482-25-9 | Uridine, 2'-deoxy-5-fluoro-, 3'(or 5')-9-octadecenoate, (Z)- (9CI)
CAS No: 141482-25-9 Catalog No: AG001GGW MDL No:
Product Description
Catalog Number:
AG001GGW
Chemical Name:
Uridine, 2'-deoxy-5-fluoro-, 3'(or 5')-9-octadecenoate, (Z)- (9CI)
CAS Number:
141482-25-9
Molecular Formula:
C27H43FN2O6
Molecular Weight:
510.6385
IUPAC Name:
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl octadec-9-enoate
InChI:
InChI=1S/C27H43FN2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(32)35-20-23-22(31)18-24(36-23)30-19-21(28)26(33)29-27(30)34/h9-10,19,22-24,31H,2-8,11-18,20H2,1H3,(H,29,33,34)/t22-,23+,24+/m0/s1
InChI Key:
NCYRTSBOEFPFST-RBZQAINGSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Properties
Complexity:
757
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
510.311g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
510.647g/mol
Monoisotopic Mass:
510.311g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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