dodecakis($l^{3}-oxidanediidyl)dodecacyclo[7.5.1.1^{1,7}.1^{3,5}.1^{3,13}.1^{5,7}.0^{1,4}.0^{1,6}.0^{2,11}.0^{2,13}.0^{6,9}.0^{11,15}]heptamolybdoxane-1,1,1,1,1,1,3,3,3,3,3,3,5,5,5,5,5,5,7,7,7,7,7,7,9,9,9,9,9,9,11,11,11,11,11,11,13,13,13,13,13,13-dotetracontakis(ylium)-2,2,4,4,6,6,8,8,10,10,12,12,14,14,15,15,16,16,17,17,18,18,19,19-tetracosauide

• ChemBase ID: 3998
• Molecular Formular: Mo7O24------
• Molecular Mass: 1055.7056
• Monoisotopic Mass: 1069.21580688
• SMILES: [O-2][Mo+6]123([O-2])[O-2][Mo+6]45([O-2])([O-2])[O-2][Mo+6]67([O-2])([O-2])[O-2][Mo+6]89([O-2])([O-2])[O-2][Mo+6]%10%11([O-2])([O-2])[O-2][Mo+6]%12([O-2])([O-2])([O-2]1)[O-2]%10[Mo+6]([O-2]2)([O-2]8)([O-2]46)([O-2]35%12)[O-2]79%11
• Canonical SMILES: [O-2][Mo+6]123([O-2])[O-2][Mo+6]4567[O-2]83[Mo+6]3([O-2]1)([O-2]6[Mo+6]1([O-2]67[Mo+6]([O-2]4)([O-2])([O-2])([O-2]1)[O-2][Mo+6]16([O-2]5[Mo+6]8([O-2]2)([O-2])([O-2])[O-2]1)([O-2])[O-2])([O-2]3)([O-2])[O-2])([O-2])[O-2]
• InChI: InChI=1S/7Mo.24O/q7*+6;24*-2
• InChIKey: RAJWDNGOYZCDTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecakis($l^{3}-oxidanediidyl)dodecacyclo[7.5.1.1^{1,7}.1^{3,5}.1^{3,13}.1^{5,7}.0^{1,4}.0^{1,6}.0^{2,11}.0^{2,13}.0^{6,9}.0^{11,15}]heptamolybdoxane-1,1,1,1,1,1,3,3,3,3,3,3,5,5,5,5,5,5,7,7,7,7,7,7,9,9,9,9,9,9,11,11,11,11,11,11,13,13,13,13,13,13-dotetracontakis(ylium)-2,2,4,4,6,6,8,8,10,10,12,12,14,14,15,15,16,16,17,17,18,18,19,19-tetracosauide
• IUPAC Traditional name: dodecakis($l^{3}-oxidanediidyl)dodecacyclo[7.5.1.1^{1,7}.1^{3,5}.1^{3,13}.1^{5,7}.0^{1,4}.0^{1,6}.0^{2,11}.0^{2,13}.0^{6,9}.0^{11,15}]heptamolybdoxane-1,1,1,1,1,1,3,3,3,3,3,3,5,5,5,5,5,5,7,7,7,7,7,7,9,9,9,9,9,9,11,11,11,11,11,11,13,13,13,13,13,13-dotetracontakis(ylium)-2,2,4,4,6,6,8,8,10,10,12,12,14,14,15,15,16,16,17,17,18,18,19,19-tetracosauide
• Synonyms: Heptamolybdate

Database IDs

• PubChem SID: 46505678; 160967433
• PubChem CID: 5288823

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 80.576 cm^3
• Polar Surface Area: 377.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

DrugBank - DB04414

Drug information: experimental