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Home > Imidazoles > 85421-86-9
85421-86-9 | methyl{6-[(2-hydroxypropyl)sulfonyl]-1h-benzimidazol-2-yl}carbamate
CAS No: 85421-86-9 Catalog No: AG004O57 MDL No:
Product Description
Catalog Number:
AG004O57
Chemical Name:
methyl{6-[(2-hydroxypropyl)sulfonyl]-1h-benzimidazol-2-yl}carbamate
CAS Number:
85421-86-9
Molecular Formula:
C12H14N3O5S-
Molecular Weight:
312.3217
IUPAC Name:
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C11H14N4O5/c1-4(16)8-6(17)7(18)11(20-8)15-3-14-5-9(15)12-2-13-10(5)19/h2-4,6-8,11,16-18H,1H3,(H,12,13,19)/t4-,6+,7-,8-,11-/m1/s1
InChI Key:
GNEUXCLUOVTONK-RWONEVQGSA-N
SMILES:
CC(CS(=O)(=O)c1ccc2c(c1)[nH]c(n2)N(C(=O)[O-])C)O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
282.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.256g/mol
Monoisotopic Mass:
282.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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