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114262-23-6 | Thymidine, 3-(4-methoxybenzoyl)-5'-O-(triphenylmethyl)- (9CI)
CAS No: 114262-23-6 Catalog No: AG000AX1 MDL No:
Product Description
Catalog Number:
AG000AX1
Chemical Name:
Thymidine, 3-(4-methoxybenzoyl)-5'-O-(triphenylmethyl)- (9CI)
CAS Number:
114262-23-6
Molecular Formula:
C37H34N2O7
Molecular Weight:
618.6751
IUPAC Name:
1-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-3-(4-methoxybenzoyl)-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C37H34N2O7/c1-25-23-38(36(43)39(34(25)41)35(42)26-18-20-30(44-2)21-19-26)33-22-31(40)32(46-33)24-45-37(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-21,23,31-33,40H,22,24H2,1-2H3
InChI Key:
LLRNCXDPTWJPSP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)n1c(=O)n(cc(c1=O)C)[C@H]1C[C@@H]([C@H](O1)COC(c1ccccc1)(c1ccccc1)c1ccccc1)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:
618.237g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
618.686g/mol
Monoisotopic Mass:
618.237g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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