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140381-05-1 | Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-methanesulfonate (9CI)
CAS No: 140381-05-1 Catalog No: AG001CBK MDL No:
Product Description
Catalog Number:
AG001CBK
Chemical Name:
Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-methanesulfonate (9CI)
CAS Number:
140381-05-1
Molecular Formula:
C11H14N2O6S
Molecular Weight:
302.3037
IUPAC Name:
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl methanesulfonate
InChI:
InChI=1S/C11H14N2O6S/c1-7-5-13(11(15)12-10(7)14)9-4-3-8(19-9)6-18-20(2,16)17/h3-5,8-9H,6H2,1-2H3,(H,12,14,15)/t8-,9+/m0/s1
InChI Key:
ZDBKDIJKPIGMSD-DTWKUNHWSA-N
SMILES:
O=c1[nH]c(=O)n(cc1C)[C@H]1C=C[C@H](O1)COS(=O)(=O)C
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
302.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.301g/mol
Monoisotopic Mass:
302.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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