(10-((3,4,5-tris(dodecyloxy)benzoyl)oxy)decyl)phosphonic acid | SBID = 537 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C53H99O8P
M / g/mol: 895.34
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: (10-((3,4,5-tris(dodecyloxy)benzoyl)oxy)decyl)phosphonic acid
  • Preferred Abbreviation: (10-((3,4,5-tris(dodecyloxy)benzoyl)oxy)decyl)phosphonic acid
  • IUPAC Name: (10-((3,4,5-tris(dodecyloxy)benzoyl)oxy)decyl)phosphonic acid
  • CAS:
  • CID: -117
  • InChiKey: PULHRVDWUMLTKY-UHFFFAOYSA-N
  • InChi: InChI=1S/C53H99O8P/c1-4-7-10-13-16-19-22-27-32-37-42-58-50-47-49(53(54)61-45-40-35-30-25-26-31-36-41-46-62(55,56)57)48-51(59-43-38-33-28-23-20-17-14-11-8-5-2)52(50)60-44-39-34-29-24-21-18-15-12-9-6-3/h47-48H,4-46H2,1-3H3,(H2,55,56,57)
  • CanoSmiles: O=C(OCCCCCCCCCCP(O)(O)=O)C1=CC(OCCCCCCCCCCCC)=C(OCCCCCCCCCCCC)C(OCCCCCCCCCCCC)=C1
  • IsoSmiles: O=C(OCCCCCCCCCCP(O)(O)=O)C1=CC(OCCCCCCCCCCCC)=C(OCCCCCCCCCCCC)C(OCCCCCCCCCCCC)=C1