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Home > Nitro Compounds > 76756-12-2
76756-12-2 | thymidyl 3'-(4-nitrophenyl)phosphorothioate
CAS No: 76756-12-2 Catalog No: AG00GGG1 MDL No:
Product Description
Catalog Number:
AG00GGG1
Chemical Name:
thymidyl 3'-(4-nitrophenyl)phosphorothioate
CAS Number:
76756-12-2
IUPAC Name:
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[hydroxy-[(4-nitrophenyl)methoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C17H20N3O9PS/c1-10-7-19(17(23)18-16(10)22)15-6-13(14(8-21)28-15)29-30(26,31)27-9-11-2-4-12(5-3-11)20(24)25/h2-5,7,13-15,21H,6,8-9H2,1H3,(H,26,31)(H,18,22,23)/t13-,14+,15+,30?/m0/s1
InChI Key:
JKVAQNNEAGELID-LQKXLNEJSA-N
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
473.066g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
473.393g/mol
Monoisotopic Mass:
473.066g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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