hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

C61H66N16Na6O35P6S2 — CID 159922891

About hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate (PubChem CID 159922891) has the molecular formula C61H66N16Na6O35P6S2 and a molecular weight of 1971.19 g/mol. Its IUPAC name is hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

• Compound Name: hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
• PubChem CID: 159922891
• Molecular Formula: C61H66N16Na6O35P6S2
• Molecular Weight: 1971.19 g/mol
• Exact Mass: 1970.11
• IUPAC Name: hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
• SMILES: Nc1ncnc2c1c(-c1ccoc1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CC=CC1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)C(O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C16H19N4O7P.C15H19N4O13P3S.C15H17N4O8P.C15H17N4O7PS.6Na/c17-14-11-9(8-3-1-2-4-8)5-20(15(11)19-7-18-14)16-13(22)12(21)10(27-16)6-26-28(23,24)25;16-13-10-8(7-1-2-36-5-7)3-19(14(10)18-6-17-13)15-12(21)11(20)9(30-15)4-29-34(25,26)32-35(27,28)31-33(22,23)24;16-13-10-8(7-1-2-25-4-7)3-19(14(10)18-6-17-13)15-12(21)11(20)9(27-15)5-26-28(22,23)24;16-13-10-8(7-1-2-28-5-7)3-19(14(10)18-6-17-13)15-12(21)11(20)9(26-15)4-25-27(22,23)24;;;;;;/h1-3,5,7,10,12-13,16,21-22H,4,6H2,(H2,17,18,19)(H2,23,24,25);1-3,5-6,9,11-12,15,20-21H,4H2,(H,25,26)(H,27,28)(H2,16,17,18)(H2,22,23,24);1-4,6,9,11-12,15,20-21H,5H2,(H2,16,17,18)(H2,22,23,24);1-3,5-6,9,11-12,15,20-21H,4H2,(H2,16,17,18)(H2,22,23,24);;;;;;/q;;;;6*+1/p-6/t10-,12?,13+,16-;3*9-,11?,12+,15-;;;;;;/m1111....../s1
• InChIKey: NYQGASFZYOUYJK-OSCKLTOXSA-H
• XLogP: -20.51
• TPSA: 815.90 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 49
• Rotatable Bonds: 24
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1971.19
LogP ≤ 5	-20.51
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate?

The IUPAC name of hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate (CID 159922891) is hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.

What is the SMILES notation for hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate?

The canonical SMILES for hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate is Nc1ncnc2c1c(-c1ccoc1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CC=CC1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)C(O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate?

The InChIKey is NYQGASFZYOUYJK-OSCKLTOXSA-H. The full InChI is InChI=1S/C16H19N4O7P.C15H19N4O13P3S.C15H17N4O8P.C15H17N4O7PS.6Na/c17-14-11-9(8-3-1-2-4-8)5-20(15(11)19-7-18-14)16-13(22)12(21)10(27-16)6-26-28(23,24)25;16-13-10-8(7-1-2-36-5-7)3-19(14(10)18-6-17-13)15-12(21)11(20)9(30-15)4-29-34(25,26)32-35(27,28)31-33(22,23)24;16-13-10-8(7-1-2-25-4-7)3-19(14(10)18-6-17-13)15-12(21)11(20)9(27-15)5-26-28(22,23)24;16-13-10-8(7-1-2-28-5-7)3-19(14(10)18-6-17-13)15-12(21)11(20)9(26-15)4-25-27(22,23)24;;;;;;/h1-3,5,7,10,12-13,16,21-22H,4,6H2,(H2,17,18,19)(H2,23,24,25);1-3,5-6,9,11-12,15,20-21H,4H2,(H,25,26)(H,27,28)(H2,16,17,18)(H2,22,23,24);1-4,6,9,11-12,15,20-21H,5H2,(H2,16,17,18)(H2,22,23,24);1-3,5-6,9,11-12,15,20-21H,4H2,(H2,16,17,18)(H2,22,23,24);;;;;;/q;;;;6*+1/p-6/t10-,12?,13+,16-;3*9-,11?,12+,15-;;;;;;/m1111....../s1.

What are the key properties of hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate?

hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 1971.19 g/mol, XLogP of -20.51, 24 rotatable bonds, 16 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for hexasodium;[(2R,4S,5R)-5-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,4S,5R)-5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[[[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;[(2R,4S,5R)-5-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 159922891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).