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121947-68-0 | Uridine, 5'-O-[(4-methoxyphenyl)diphenylmethyl]-, 2'-benzoate (9CI)
CAS No: 121947-68-0 Catalog No: AG0016FU MDL No:
Product Description
Catalog Number:
AG0016FU
Chemical Name:
Uridine, 5'-O-[(4-methoxyphenyl)diphenylmethyl]-, 2'-benzoate (9CI)
CAS Number:
121947-68-0
Molecular Formula:
C36H32N2O8
Molecular Weight:
620.6479
IUPAC Name:
[2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] benzoate
InChI:
InChI=1S/C36H32N2O8/c1-43-28-19-17-27(18-20-28)36(25-13-7-3-8-14-25,26-15-9-4-10-16-26)44-23-29-31(40)32(46-34(41)24-11-5-2-6-12-24)33(45-29)38-22-21-30(39)37-35(38)42/h2-22,29,31-33,40H,23H2,1H3,(H,37,39,42)
InChI Key:
DZWZYXKRFVRMTF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OC(=O)c1ccccc1)n1ccc(=O)[nH]c1=O
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
620.216g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
620.658g/mol
Monoisotopic Mass:
620.216g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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