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100551-67-5 | Thiourea, N-(1,1-dimethyl-3-oxobutyl)-N'-β-D-ribofuranosyl-
CAS No: 100551-67-5 Catalog No: AG0002B2 MDL No:
Product Description
Catalog Number:
AG0002B2
Chemical Name:
Thiourea, N-(1,1-dimethyl-3-oxobutyl)-N'-β-D-ribofuranosyl-
CAS Number:
100551-67-5
Molecular Formula:
C12H22N2O5S
Molecular Weight:
306.3785
IUPAC Name:
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-methyl-4-oxopentan-2-yl)thiourea
InChI:
InChI=1S/C12H22N2O5S/c1-6(16)4-12(2,3)14-11(20)13-10-9(18)8(17)7(5-15)19-10/h7-10,15,17-18H,4-5H2,1-3H3,(H2,13,14,20)/t7-,8-,9-,10-/m1/s1
InChI Key:
QFZOUJAPJJFFPY-ZYUZMQFOSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)NC(=S)NC(CC(=O)C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
306.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
306.377g/mol
Monoisotopic Mass:
306.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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