Sulfonate phenylglycolurildimer | SBID = 1864 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula:
M / g/mol: 2200.0
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Sulfonate phenylglycolurildimer
  • Preferred Abbreviation:
  • IUPAC Name:
  • CAS:
  • CID: -782
  • InChiKey:
  • InChi:
  • CanoSmiles:
  • IsoSmiles: O=C1N2[C@@]([C@@]3(C4=CC=C([C@@]([C@]5(C6=CC=CC=C6)N7CC8=C(C(OCCCS(=O)(O[Na])=O)=CC=C8OCCCS(=O)(O[Na])=O)CN5C9=O)(N9CC%10=C(C(O[(CH2)3SO3Na])=CC=C%10O[(CH2)3SO3Na])C%11)N%11C7=O)C=C4)N%12CC%13=C(C(OCCCS(=O)(O[Na])=O)=CC=C%13OCCCS(=O)(O[Na])=O)CN13)(C%14=CC=CC=C%14)N(CC(C(O[(CH2)3SO3Na])=CC=C%15O[(CH2)3SO3Na])=C%15C2)C%12=O