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Home > Imidazoles > 5395-50-6
5395-50-6 | 1,3,4,6-Tetrakis(hydroxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CAS No: 5395-50-6 Catalog No: AG003DFU MDL No:MFCD00043995
Product Description
Catalog Number:
AG003DFU
Chemical Name:
1,3,4,6-Tetrakis(hydroxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CAS Number:
5395-50-6
Molecular Formula:
C8H14N4O6
Molecular Weight:
262.2200
MDL Number:
MFCD00043995
IUPAC Name:
1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2
InChI Key:
UUGLSEIATNSHRI-UHFFFAOYSA-N
SMILES:
OCN1C(=O)N(C2C1N(CO)C(=O)N2CO)CO
EC Number:
226-408-0
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.222g/mol
Monoisotopic Mass:
262.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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