2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate

C126H94F11I24O51S7-7 — CID 162219959

IUPAC2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate
SMILESO=C(OC12CC3CC(C1)CC(OC(O)c1cc(I)cc(I)c1I)(C3)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(C1)CC(OC(O)c1cc(I)cc(I)c1I)(C3)C2)C(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CC2CC1CC2OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CCC(OC(=O)C(F)(F)S(=O)(=O)[O-])CC1)c1cc(I)cc(I)c1I.O=C(OCCS(=O)(=O)[O-])c1cc(OC(=O)c2cc(I)cc(I)c2I)cc(OC(=O)c2cc(I)cc(I)c2I)c1.O=C(Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1)c1cc(I)cc(I)c1I
InChIInChI=1S/C23H12I6O9S.C19H19F2I3O7S.C19H17F2I3O7S.C19H20FI3O7S.C16H13F2I3O7S.C15H13F2I3O7S.C15H7F2I3O7S/c24-11-5-15(19(28)17(26)7-11)22(31)37-13-3-10(21(30)36-1-2-39(33,34)35)4-14(9-13)38-23(32)16-6-12(25)8-18(27)20(16)29;20-19(21,32(27,28)29)16(26)31-18-6-9-1-10(7-18)5-17(4-9,8-18)30-15(25)12-2-11(22)3-13(23)14(12)24;20-19(21,32(27,28)29)18(26)31-16-9-1-7-2-10(16)4-8(3-9)15(7)30-17(25)12-5-11(22)6-13(23)14(12)24;20-15(31(26,27)28)17(25)30-19-6-9-1-10(7-19)5-18(4-9,8-19)29-16(24)12-2-11(21)3-13(22)14(12)23;17-16(18,29(24,25)26)15(23)28-12-3-6-1-7(12)2-11(6)27-14(22)9-4-8(19)5-10(20)13(9)21;2*16-15(17,28(23,24)25)14(22)27-9-3-1-8(2-4-9)26-13(21)10-5-7(18)6-11(19)12(10)20/h3-9H,1-2H2,(H,33,34,35);2-3,9-10,15,25H,1,4-8H2,(H,27,28,29);5-10,15-16H,1-4H2,(H,27,28,29);2-3,9-10,15-16,24H,1,4-8H2,(H,26,27,28);4-7,11-12H,1-3H2,(H,24,25,26);5-6,8-9H,1-4H2,(H,23,24,25);1-6H,(H,23,24,25)/p-7
InChIKeyZTZHNLYNRZVCEQ-UHFFFAOYSA-G
MW5903.23 g/mol
LogP29.78
Rot. Bonds40

About 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate

2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate (PubChem CID 162219959) has the molecular formula C126H94F11I24O51S7-7 and a molecular weight of 5903.23 g/mol. Its IUPAC name is 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate.

Molecular Properties

Compound Name2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate
PubChem CID162219959
Molecular FormulaC126H94F11I24O51S7-7
Molecular Weight5903.23 g/mol
Exact Mass5900.97
IUPAC Name2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate
SMILESO=C(OC12CC3CC(C1)CC(OC(O)c1cc(I)cc(I)c1I)(C3)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(C1)CC(OC(O)c1cc(I)cc(I)c1I)(C3)C2)C(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CC2CC1CC2OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CCC(OC(=O)C(F)(F)S(=O)(=O)[O-])CC1)c1cc(I)cc(I)c1I.O=C(OCCS(=O)(=O)[O-])c1cc(OC(=O)c2cc(I)cc(I)c2I)cc(OC(=O)c2cc(I)cc(I)c2I)c1.O=C(Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1)c1cc(I)cc(I)c1I
InChIInChI=1S/C23H12I6O9S.C19H19F2I3O7S.C19H17F2I3O7S.C19H20FI3O7S.C16H13F2I3O7S.C15H13F2I3O7S.C15H7F2I3O7S/c24-11-5-15(19(28)17(26)7-11)22(31)37-13-3-10(21(30)36-1-2-39(33,34)35)4-14(9-13)38-23(32)16-6-12(25)8-18(27)20(16)29;20-19(21,32(27,28)29)16(26)31-18-6-9-1-10(7-18)5-17(4-9,8-18)30-15(25)12-2-11(22)3-13(23)14(12)24;20-19(21,32(27,28)29)18(26)31-16-9-1-7-2-10(16)4-8(3-9)15(7)30-17(25)12-5-11(22)6-13(23)14(12)24;20-15(31(26,27)28)17(25)30-19-6-9-1-10(7-19)5-18(4-9,8-19)29-16(24)12-2-11(21)3-13(22)14(12)23;17-16(18,29(24,25)26)15(23)28-12-3-6-1-7(12)2-11(6)27-14(22)9-4-8(19)5-10(20)13(9)21;2*16-15(17,28(23,24)25)14(22)27-9-3-1-8(2-4-9)26-13(21)10-5-7(18)6-11(19)12(10)20/h3-9H,1-2H2,(H,33,34,35);2-3,9-10,15,25H,1,4-8H2,(H,27,28,29);5-10,15-16H,1-4H2,(H,27,28,29);2-3,9-10,15-16,24H,1,4-8H2,(H,26,27,28);4-7,11-12H,1-3H2,(H,24,25,26);5-6,8-9H,1-4H2,(H,23,24,25);1-6H,(H,23,24,25)/p-7
InChIKeyZTZHNLYNRZVCEQ-UHFFFAOYSA-G
XLogP29.78
TPSA801.22 Ų
H-Bond Donors2
H-Bond Acceptors51
Rotatable Bonds40
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005903.23
LogP ≤ 529.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate?
The IUPAC name of 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate (CID 162219959) is 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate.
What is the SMILES notation for 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate?
The canonical SMILES for 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate is O=C(OC12CC3CC(C1)CC(OC(O)c1cc(I)cc(I)c1I)(C3)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(C1)CC(OC(O)c1cc(I)cc(I)c1I)(C3)C2)C(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CC2CC1CC2OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CCC(OC(=O)C(F)(F)S(=O)(=O)[O-])CC1)c1cc(I)cc(I)c1I.O=C(OCCS(=O)(=O)[O-])c1cc(OC(=O)c2cc(I)cc(I)c2I)cc(OC(=O)c2cc(I)cc(I)c2I)c1.O=C(Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1)c1cc(I)cc(I)c1I.
What is the InChIKey of 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate?
The InChIKey is ZTZHNLYNRZVCEQ-UHFFFAOYSA-G. The full InChI is InChI=1S/C23H12I6O9S.C19H19F2I3O7S.C19H17F2I3O7S.C19H20FI3O7S.C16H13F2I3O7S.C15H13F2I3O7S.C15H7F2I3O7S/c24-11-5-15(19(28)17(26)7-11)22(31)37-13-3-10(21(30)36-1-2-39(33,34)35)4-14(9-13)38-23(32)16-6-12(25)8-18(27)20(16)29;20-19(21,32(27,28)29)16(26)31-18-6-9-1-10(7-18)5-17(4-9,8-18)30-15(25)12-2-11(22)3-13(23)14(12)24;20-19(21,32(27,28)29)18(26)31-16-9-1-7-2-10(16)4-8(3-9)15(7)30-17(25)12-5-11(22)6-13(23)14(12)24;20-15(31(26,27)28)17(25)30-19-6-9-1-10(7-19)5-18(4-9,8-19)29-16(24)12-2-11(21)3-13(22)14(12)23;17-16(18,29(24,25)26)15(23)28-12-3-6-1-7(12)2-11(6)27-14(22)9-4-8(19)5-10(20)13(9)21;2*16-15(17,28(23,24)25)14(22)27-9-3-1-8(2-4-9)26-13(21)10-5-7(18)6-11(19)12(10)20/h3-9H,1-2H2,(H,33,34,35);2-3,9-10,15,25H,1,4-8H2,(H,27,28,29);5-10,15-16H,1-4H2,(H,27,28,29);2-3,9-10,15-16,24H,1,4-8H2,(H,26,27,28);4-7,11-12H,1-3H2,(H,24,25,26);5-6,8-9H,1-4H2,(H,23,24,25);1-6H,(H,23,24,25)/p-7.
What are the key properties of 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate?
2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate has a molecular weight of 5903.23 g/mol, XLogP of 29.78, 40 rotatable bonds, 2 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]benzoyl]oxyethanesulfonate;1,1-difluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-[[3-[hydroxy-(2,3,5-triiodophenyl)methoxy]-1-adamantyl]oxy]-2-oxoethanesulfonate is sourced from PubChem (CID 162219959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).