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211191-57-0 | Thymidine, 3'-O-2-propen-1-yl-
CAS No: 211191-57-0 Catalog No: AG002L7C MDL No:
Product Description
Catalog Number:
AG002L7C
Chemical Name:
Thymidine, 3'-O-2-propen-1-yl-
CAS Number:
211191-57-0
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
IUPAC Name:
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C13H18N2O5/c1-3-4-19-9-5-11(20-10(9)7-16)15-6-8(2)12(17)14-13(15)18/h3,6,9-11,16H,1,4-5,7H2,2H3,(H,14,17,18)/t9-,10+,11+/m0/s1
InChI Key:
RLZDTULMQCRTLP-HBNTYKKESA-N
SMILES:
C=CCO[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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