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89196-54-3 | Thymidine, 5'-[[4-(bromoacetyl)benzoyl]amino]-5'-deoxy-
CAS No: 89196-54-3 Catalog No: AG003VZ9 MDL No:
Product Description
Catalog Number:
AG003VZ9
Chemical Name:
Thymidine, 5'-[[4-(bromoacetyl)benzoyl]amino]-5'-deoxy-
CAS Number:
89196-54-3
Molecular Formula:
C19H20BrN3O6
Molecular Weight:
466.2826
IUPAC Name:
4-(2-bromoacetyl)-N-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
InChI:
InChI=1S/C19H20BrN3O6/c1-10-9-23(19(28)22-17(10)26)16-6-13(24)15(29-16)8-21-18(27)12-4-2-11(3-5-12)14(25)7-20/h2-5,9,13,15-16,24H,6-8H2,1H3,(H,21,27)(H,22,26,28)
InChI Key:
YFUHZZFLNAUOAV-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)C(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.054g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
466.288g/mol
Monoisotopic Mass:
465.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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