methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium

C103H98F12O36S4UV — CID 162215825

About methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium

methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium (PubChem CID 162215825) has the molecular formula C103H98F12O36S4UV and a molecular weight of 2557.10 g/mol. Its IUPAC name is methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium.

Molecular Properties

• Compound Name: methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium
• PubChem CID: 162215825
• Molecular Formula: C103H98F12O36S4UV
• Molecular Weight: 2557.10 g/mol
• Exact Mass: 2555.45
• IUPAC Name: methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium
• SMILES: C.CCC12C(C3=C(C4c5ccc(-c6ccc(C(=O)OC7[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]7O)cc6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C(=O)OC4[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]4O)cc3)cc1S2(=O)=O.CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4cc(-c5ccc(C(=O)OC6[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]6O)cc5)ccc43)C(F)(F)C(F)(F)C2(F)F)c2ccc(-c3ccc(C(=O)OC4[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]4O)cc3)cc2S1(=O)=O.[U].[V]
• InChI: InChI=1S/C51H48F6O18S2.C51H46F6O18S2.CH4.U.V/c1-3-47-29(25-15-13-23(17-27(25)76(47,70)71)19-5-9-21(10-6-19)45(68)74-43-39(64)35(60)33(58)36(61)40(43)65)31-32(50(54,55)51(56,57)49(31,52)53)30-26-16-14-24(18-28(26)77(72,73)48(30,47)4-2)20-7-11-22(12-8-20)46(69)75-44-41(66)37(62)34(59)38(63)42(44)67;1-3-27-31(25-15-13-23(17-29(25)76(27,70)71)19-5-9-21(10-6-19)47(68)74-45-41(64)37(60)35(58)38(61)42(45)65)33-34(50(54,55)51(56,57)49(33,52)53)32-26-16-14-24(18-30(26)77(72,73)28(32)4-2)20-7-11-22(12-8-20)48(69)75-46-43(66)39(62)36(59)40(63)44(46)67;;;/h5-18,29-30,33-44,58-67H,3-4H2,1-2H3;5-18,35-46,58-67H,3-4H2,1-2H3;1H4;;/t29?,30?,33?,34?,35-,36+,37-,38+,39+,40-,41+,42-,43?,44?,47?,48?;35?,36?,37-,38+,39-,40+,41+,42-,43+,44-,45?,46?
• InChIKey: ZTLKHZJMJFRSQX-ZHIFSPDKSA-N
• XLogP: 4.75
• TPSA: 646.36 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2557.10
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium?

The IUPAC name of methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium (CID 162215825) is methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium.

What is the SMILES notation for methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium?

The canonical SMILES for methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium is C.CCC12C(C3=C(C4c5ccc(-c6ccc(C(=O)OC7[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]7O)cc6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C(=O)OC4[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]4O)cc3)cc1S2(=O)=O.CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4cc(-c5ccc(C(=O)OC6[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]6O)cc5)ccc43)C(F)(F)C(F)(F)C2(F)F)c2ccc(-c3ccc(C(=O)OC4[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]4O)cc3)cc2S1(=O)=O.[U].[V].

What is the InChIKey of methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium?

The InChIKey is ZTLKHZJMJFRSQX-ZHIFSPDKSA-N. The full InChI is InChI=1S/C51H48F6O18S2.C51H46F6O18S2.CH4.U.V/c1-3-47-29(25-15-13-23(17-27(25)76(47,70)71)19-5-9-21(10-6-19)45(68)74-43-39(64)35(60)33(58)36(61)40(43)65)31-32(50(54,55)51(56,57)49(31,52)53)30-26-16-14-24(18-28(26)77(72,73)48(30,47)4-2)20-7-11-22(12-8-20)46(69)75-44-41(66)37(62)34(59)38(63)42(44)67;1-3-27-31(25-15-13-23(17-29(25)76(27,70)71)19-5-9-21(10-6-19)47(68)74-45-41(64)37(60)35(58)38(61)42(45)65)33-34(50(54,55)51(56,57)49(33,52)53)32-26-16-14-24(18-30(26)77(72,73)28(32)4-2)20-7-11-22(12-8-20)48(69)75-46-43(66)39(62)36(59)40(63)44(46)67;;;/h5-18,29-30,33-44,58-67H,3-4H2,1-2H3;5-18,35-46,58-67H,3-4H2,1-2H3;1H4;;/t29?,30?,33?,34?,35-,36+,37-,38+,39+,40-,41+,42-,43?,44?,47?,48?;35?,36?,37-,38+,39-,40+,41+,42-,43+,44-,45?,46?;;;.

What are the key properties of methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium?

methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium has a molecular weight of 2557.10 g/mol, XLogP of 4.75, 18 rotatable bonds, 20 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for methane;[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[1,2-diethyl-12,12,13,13,14,14-hexafluoro-3,3,23,23-tetraoxo-20-[4-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-3λ6,23λ6-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4(9),5,7,11(15),17(22),18,20-heptaen-6-yl]benzoate;[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-[2-ethyl-3-[2-[2-ethyl-1,1-dioxo-6-[4-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxycarbonylphenyl]-1-benzothiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1,1-dioxo-1-benzothiophen-6-yl]benzoate;uranium;vanadium is sourced from PubChem (CID 162215825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).