decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate

C110H124FN10Na10O25P5 — CID 159054707

IUPACdecasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate
SMILESO=P([O-])([O-])OC(CC1c2ccccc2-c2cncn21)C12CC3CC(C1)C(O)C(C3)C2.O=P([O-])([O-])OC(CC1c2ccccc2-c2cncn21)C12CC3CC(C1)C(O)C(C3)C2.O=P([O-])([O-])OC(CC1c2ccccc2-c2cncn21)C12CC3CC(CC(O)(C3)C1)C2.O=P([O-])([O-])OC12CC3CC(C1)CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.O=P([O-])([O-])OC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C22H26FN2O5P.4C22H27N2O5P.10Na/c23-16-3-1-2-15-18-10-24-12-25(18)17(20(15)16)5-19(26)21-6-13-4-14(7-21)9-22(8-13,11-21)30-31(27,28)29;25-22-9-14-5-15(10-22)8-21(7-14,12-22)20(29-30(26,27)28)6-18-16-3-1-2-4-17(16)19-11-23-13-24(18)19;2*25-21-14-5-13-6-15(21)10-22(8-13,9-14)20(29-30(26,27)28)7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19;25-20(7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19)22-8-13-5-14(9-22)21(15(6-13)10-22)29-30(26,27)28;;;;;;;;;;/h1-3,10,12-14,17,19,26H,4-9,11H2,(H2,27,28,29);1-4,11,13-15,18,20,25H,5-10,12H2,(H2,26,27,28);3*1-4,11-15,18,20-21,25H,5-10H2,(H2,26,27,28);;;;;;;;;;/q;;;;;10*+1/p-10
InChIKeyJXSBSCMMJQYLDI-UHFFFAOYSA-D
MW2390.01 g/mol
LogP-18.31
Rot. Bonds25

About decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate

decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate (PubChem CID 159054707) has the molecular formula C110H124FN10Na10O25P5 and a molecular weight of 2390.01 g/mol. Its IUPAC name is decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate.

Molecular Properties

Compound Namedecasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate
PubChem CID159054707
Molecular FormulaC110H124FN10Na10O25P5
Molecular Weight2390.01 g/mol
Exact Mass2388.64
IUPAC Namedecasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate
SMILESO=P([O-])([O-])OC(CC1c2ccccc2-c2cncn21)C12CC3CC(C1)C(O)C(C3)C2.O=P([O-])([O-])OC(CC1c2ccccc2-c2cncn21)C12CC3CC(C1)C(O)C(C3)C2.O=P([O-])([O-])OC(CC1c2ccccc2-c2cncn21)C12CC3CC(CC(O)(C3)C1)C2.O=P([O-])([O-])OC12CC3CC(C1)CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.O=P([O-])([O-])OC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C22H26FN2O5P.4C22H27N2O5P.10Na/c23-16-3-1-2-15-18-10-24-12-25(18)17(20(15)16)5-19(26)21-6-13-4-14(7-21)9-22(8-13,11-21)30-31(27,28)29;25-22-9-14-5-15(10-22)8-21(7-14,12-22)20(29-30(26,27)28)6-18-16-3-1-2-4-17(16)19-11-23-13-24(18)19;2*25-21-14-5-13-6-15(21)10-22(8-13,9-14)20(29-30(26,27)28)7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19;25-20(7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19)22-8-13-5-14(9-22)21(15(6-13)10-22)29-30(26,27)28;;;;;;;;;;/h1-3,10,12-14,17,19,26H,4-9,11H2,(H2,27,28,29);1-4,11,13-15,18,20,25H,5-10,12H2,(H2,26,27,28);3*1-4,11-15,18,20-21,25H,5-10H2,(H2,26,27,28);;;;;;;;;;/q;;;;;10*+1/p-10
InChIKeyJXSBSCMMJQYLDI-UHFFFAOYSA-D
XLogP-18.31
TPSA552.35 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002390.01
LogP ≤ 5-18.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate?
The IUPAC name of decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate (CID 159054707) is decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate.
What is the SMILES notation for decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate?
The canonical SMILES for decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate is O=P([O-])([O-])OC(CC1c2ccccc2-c2cncn21)C12CC3CC(C1)C(O)C(C3)C2.O=P([O-])([O-])OC(CC1c2ccccc2-c2cncn21)C12CC3CC(C1)C(O)C(C3)C2.O=P([O-])([O-])OC(CC1c2ccccc2-c2cncn21)C12CC3CC(CC(O)(C3)C1)C2.O=P([O-])([O-])OC12CC3CC(C1)CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.O=P([O-])([O-])OC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate?
The InChIKey is JXSBSCMMJQYLDI-UHFFFAOYSA-D. The full InChI is InChI=1S/C22H26FN2O5P.4C22H27N2O5P.10Na/c23-16-3-1-2-15-18-10-24-12-25(18)17(20(15)16)5-19(26)21-6-13-4-14(7-21)9-22(8-13,11-21)30-31(27,28)29;25-22-9-14-5-15(10-22)8-21(7-14,12-22)20(29-30(26,27)28)6-18-16-3-1-2-4-17(16)19-11-23-13-24(18)19;2*25-21-14-5-13-6-15(21)10-22(8-13,9-14)20(29-30(26,27)28)7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19;25-20(7-18-16-3-1-2-4-17(16)19-11-23-12-24(18)19)22-8-13-5-14(9-22)21(15(6-13)10-22)29-30(26,27)28;;;;;;;;;;/h1-3,10,12-14,17,19,26H,4-9,11H2,(H2,27,28,29);1-4,11,13-15,18,20,25H,5-10,12H2,(H2,26,27,28);3*1-4,11-15,18,20-21,25H,5-10H2,(H2,26,27,28);;;;;;;;;;/q;;;;;10*+1/p-10.
What are the key properties of decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate?
decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate has a molecular weight of 2390.01 g/mol, XLogP of -18.31, 25 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for decasodium;[3-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-1-adamantyl] phosphate;[1-(3-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate;bis([1-(4-hydroxy-1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] phosphate);[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl] phosphate is sourced from PubChem (CID 159054707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).