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Home > Indoles and Oxindole > 140659-85-4
140659-85-4 | Thymidine, 5'-deoxy-5'-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-
CAS No: 140659-85-4 Catalog No: AG007LM6 MDL No:
Product Description
Catalog Number:
AG007LM6
Chemical Name:
Thymidine, 5'-deoxy-5'-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-
CAS Number:
140659-85-4
Molecular Formula:
C18H17N3O7
Molecular Weight:
387.3435
IUPAC Name:
2-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]isoindole-1,3-dione
InChI:
InChI=1S/C18H17N3O7/c1-9-7-20(18(26)19-15(9)23)14-6-12(22)13(28-14)8-27-21-16(24)10-4-2-3-5-11(10)17(21)25/h2-5,7,12-14,22H,6,8H2,1H3,(H,19,23,26)
InChI Key:
KCUZYQBFERZINQ-UHFFFAOYSA-N
SMILES:
O[C@H]1C[C@@H](O[C@@H]1CON1C(=O)c2c(C1=O)cccc2)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.107g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.348g/mol
Monoisotopic Mass:
387.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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