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5001-82-1 | tetrahydro-1,3,4-tris(hydroxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CAS No: 5001-82-1 Catalog No: AG00E0JD MDL No:
Product Description
Catalog Number:
AG00E0JD
Chemical Name:
tetrahydro-1,3,4-tris(hydroxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CAS Number:
5001-82-1
IUPAC Name:
3,4,6-tris(hydroxymethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C7H12N4O5/c12-1-9-4-5(11(3-14)7(9)16)10(2-13)6(15)8-4/h4-5,12-14H,1-3H2,(H,8,15)
InChI Key:
IQAIFQCNPCBECX-UHFFFAOYSA-N
EC Number:
225-671-9
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
232.196g/mol
Monoisotopic Mass:
232.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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