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140226-21-7 | Thymidine, 4'-azido-5'-deoxy-5'-iodo-
CAS No: 140226-21-7 Catalog No: AG007M03 MDL No:
Product Description
Catalog Number:
AG007M03
Chemical Name:
Thymidine, 4'-azido-5'-deoxy-5'-iodo-
CAS Number:
140226-21-7
Molecular Formula:
C10H12IN5O4
Molecular Weight:
393.1378
IUPAC Name:
1-[(2R,4S,5S)-5-azido-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H12IN5O4/c1-5-3-16(9(19)13-8(5)18)7-2-6(17)10(4-11,20-7)14-15-12/h3,6-7,17H,2,4H2,1H3,(H,13,18,19)/t6-,7+,10+/m0/s1
InChI Key:
JMPZLBYFIPXRMN-NYNCVSEMSA-N
SMILES:
[N-]=[N+]=N[C@]1(CI)O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
392.993g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.141g/mol
Monoisotopic Mass:
392.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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