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Home > Nitro Compounds > 444717-20-8
444717-20-8 | 1-(2'-Deoxy-5'-O-DMT-3'-O-nitrophenylsulphonyl-b-D-lyxofuranosyl)thymine
CAS No: 444717-20-8 Catalog No: AG01E7V0 MDL No:
Product Description
Catalog Number:
AG01E7V0
Chemical Name:
1-(2'-Deoxy-5'-O-DMT-3'-O-nitrophenylsulphonyl-b-D-lyxofuranosyl)thymine
CAS Number:
444717-20-8
IUPAC Name:
[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-nitrobenzenesulfonate
InChI:
InChI=1S/C37H35N3O11S/c1-24-22-39(36(42)38-35(24)41)34-21-31(51-52(45,46)33-12-8-7-11-30(33)40(43)44)32(50-34)23-49-37(25-9-5-4-6-10-25,26-13-17-28(47-2)18-14-26)27-15-19-29(48-3)20-16-27/h4-20,22,31-32,34H,21,23H2,1-3H3,(H,38,41,42)/t31-,32-,34-/m1/s1
InChI Key:
CHRQCXVIPTUAFE-JBIUIVRGSA-N
Properties
Complexity:
1370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
729.199g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
729.757g/mol
Monoisotopic Mass:
729.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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