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102573-69-3 | Thymidine, 3-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-
CAS No: 102573-69-3 Catalog No: AG0007SO MDL No:
Product Description
Catalog Number:
AG0007SO
Chemical Name:
Thymidine, 3-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-
CAS Number:
102573-69-3
Molecular Formula:
C38H36N2O8
Molecular Weight:
648.7010
IUPAC Name:
3-benzoyl-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C38H36N2O8/c1-25-23-39(37(44)40(35(25)42)36(43)26-10-6-4-7-11-26)34-22-32(41)33(48-34)24-47-38(27-12-8-5-9-13-27,28-14-18-30(45-2)19-15-28)29-16-20-31(46-3)21-17-29/h4-21,23,32-34,41H,22,24H2,1-3H3/t32-,33+,34+/m0/s1
InChI Key:
VLLNATAFBMEMDU-LBFZIJHGSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)n(c1=O)C(=O)c1ccccc1
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
648.247g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
648.712g/mol
Monoisotopic Mass:
648.247g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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