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139258-60-9 | Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-deoxy-
CAS No: 139258-60-9 Catalog No: AG001AKM MDL No:
Product Description
Catalog Number:
AG001AKM
Chemical Name:
Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-deoxy-
CAS Number:
139258-60-9
Molecular Formula:
C31H32N2O6
Molecular Weight:
528.5956
IUPAC Name:
1-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C31H32N2O6/c1-21-19-33(30(35)32-29(21)34)28-18-17-27(39-28)20-38-31(22-7-5-4-6-8-22,23-9-13-25(36-2)14-10-23)24-11-15-26(37-3)16-12-24/h4-16,19,27-28H,17-18,20H2,1-3H3,(H,32,34,35)/t27-,28+/m0/s1
InChI Key:
RSBMYIMCAHQZJN-WUFINQPMSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@@H]1CC[C@@H](O1)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
846
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
528.226g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
528.605g/mol
Monoisotopic Mass:
528.226g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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