({2-[(carbamoylamino)imino]-3,4,5,6-tetrahydroxyhexylidene}amino)urea

• ChemBase ID: 190142
• Molecular Formular: C8H16N6O6
• Molecular Mass: 292.24924
• Monoisotopic Mass: 292.11313226
• SMILES: C(=NNC(=O)N)(C(C(C(O)CO)O)O)C=NNC(=O)N
• Canonical SMILES: NC(=O)NN=C(C(C(C(CO)O)O)O)C=NNC(=O)N
• InChI: InChI=1S/C8H16N6O6/c9-7(19)13-11-1-3(12-14-8(10)20)5(17)6(18)4(16)2-15/h1,4-6,15-18H,2H2,(H3,9,13,19)(H3,10,14,20)
• InChIKey: GVIQLIUQGMZZEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({2-[(carbamoylamino)imino]-3,4,5,6-tetrahydroxyhexylidene}amino)urea
• IUPAC Traditional name: {2-[(carbamoylamino)imino]-3,4,5,6-tetrahydroxyhexylidene}aminourea

Database IDs

• PubChem SID: 164246052
• PubChem CID: 6807220

CALCULATED PROPERTIES

• Acid pKa: 11.424329
• H Acceptors: 8
• H Donor: 8
• LogD (pH = 5.5): -4.1807804
• LogD (pH = 7.4): -4.1808167
• Log P: -4.18078
• Molar Refractivity: 63.9153 cm^3
• Polarizability: 24.55687 Å^3
• Polar Surface Area: 215.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Z/E Conformers
• Classification: Derivatives & analogs of Natural Compounds