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123884-03-7 | Thymidine, 3-benzoyl-5'-O-(triphenylmethyl)-
CAS No: 123884-03-7 Catalog No: AG000L74 MDL No:
Product Description
Catalog Number:
AG000L74
Chemical Name:
Thymidine, 3-benzoyl-5'-O-(triphenylmethyl)-
CAS Number:
123884-03-7
Molecular Formula:
C36H32N2O6
Molecular Weight:
588.6491
IUPAC Name:
3-benzoyl-1-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C36H32N2O6/c1-25-23-37(35(42)38(33(25)40)34(41)26-14-6-2-7-15-26)32-22-30(39)31(44-32)24-43-36(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,23,30-32,39H,22,24H2,1H3
InChI Key:
FEDQLMVRGNNLTQ-UHFFFAOYSA-N
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cc(C)c(=O)n(c1=O)C(=O)c1ccccc1
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.226g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
588.66g/mol
Monoisotopic Mass:
588.226g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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