1,3,4,6-tetrakis(methoxymethyl)-octahydroimidazo[4,5-d]imidazolidine-2,5-dione

• ChemBase ID: 293772
• Molecular Formular: C12H22N4O6
• Molecular Mass: 318.32628
• Monoisotopic Mass: 318.15393444
• SMILES: COCN1C2C(N(COC)C1=O)N(COC)C(=O)N2COC
• Canonical SMILES: COCN1C(=O)N(C2C1N(COC)C(=O)N2COC)COC
• InChI: InChI=1S/C12H22N4O6/c1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h9-10H,5-8H2,1-4H3
• InChIKey: XGQJGMGAMHFMAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,4,6-tetrakis(methoxymethyl)-octahydroimidazo[4,5-d]imidazolidine-2,5-dione
• IUPAC Traditional name: 1,3,4,6-tetrakis(methoxymethyl)-dihydroimidazo[4,5-d]imidazolidine-2,5-dione
• Synonyms: 1,3,4,6-Tetrakis(methoxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

Database IDs

• CAS Number: 17464-88-9
• MDL Number: MFCD00402438
• PubChem SID: 180679303
• PubChem CID: 87125

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.5485762
• LogD (pH = 7.4): -0.5485762
• Log P: -0.5485762
• Molar Refractivity: 72.439 cm^3
• Polarizability: 29.114141 Å^3
• Polar Surface Area: 84.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%