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58349-27-2 | 2'-Deoxy-5-iodouridine 5'-(4-methylbenzenesulfonate)
CAS No: 58349-27-2 Catalog No: AG00ESGB MDL No:
Product Description
Catalog Number:
AG00ESGB
Chemical Name:
2'-Deoxy-5-iodouridine 5'-(4-methylbenzenesulfonate)
CAS Number:
58349-27-2
IUPAC Name:
[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H17IN2O7S/c1-9-2-4-10(5-3-9)27(23,24)25-8-13-12(20)6-14(26-13)19-7-11(17)15(21)18-16(19)22/h2-5,7,12-14,20H,6,8H2,1H3,(H,18,21,22)/t12-,13+,14+/m0/s1
InChI Key:
JMDQOHNEACOMSM-BFHYXJOUSA-N
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
507.98g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
508.283g/mol
Monoisotopic Mass:
507.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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