disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide

C98H126N32Na2O38P6Si2 — CID 159414754

About disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide

disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide (PubChem CID 159414754) has the molecular formula C98H126N32Na2O38P6Si2 and a molecular weight of 2648.27 g/mol. Its IUPAC name is disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide.

Molecular Properties

• Compound Name: disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide
• PubChem CID: 159414754
• Molecular Formula: C98H126N32Na2O38P6Si2
• Molecular Weight: 2648.27 g/mol
• Exact Mass: 2646.67
• IUPAC Name: disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide
• SMILES: CO[C@H]1[C@H]2OP(=O)(O)OC[C@@]34C[C@@H]3[C@@H](n3cnc5c(N)ncnc53)[C@H](OP(=O)(O)OC[C@H]1O[C@H]2n1cnc2c(=O)[nH]c(N)nc21)[C@@H]4O[Si](C)(C)C(C)(C)C.CO[C@H]1[C@H]2OP(=O)([O-])OC[C@@]34C[C@@H]3[C@@H](n3cnc5c(N)ncnc53)[C@H](OP(=O)([O-])OC[C@H]1O[C@H]2n1cnc2c(=O)[nH]c(N)nc21)[C@@H]4O.[C-]#[N+]CCOP1(=O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](OP(=O)(OCCC#N)OC[C@@]34C[C@@H]3[C@@H](n3cnc5c(NC(=O)c6ccccc6)ncnc53)[C@H](O1)[C@@H]4O[Si](C)(C)C(C)(C)C)[C@@H]2OC.[Na+].[Na+]
• InChI: InChI=1S/C46H58N12O14P2Si.C29H42N10O12P2Si.C23H28N10O12P2.2Na/c1-26(2)40(59)55-44-54-39-31(42(61)56-44)52-25-58(39)43-35-33(64-7)29(69-43)21-67-73(62,66-19-17-48-6)70-34-32(57-24-51-30-37(49-23-50-38(30)57)53-41(60)27-14-11-10-12-15-27)28-20-46(28,36(34)72-75(8,9)45(3,4)5)22-68-74(63,71-35)65-18-13-16-47;1-28(2,3)54(5,6)51-21-19-17(38-11-34-15-22(30)32-10-33-23(15)38)13-7-29(13,21)9-47-53(43,44)50-20-18(45-4)14(8-46-52(41,42)49-19)48-26(20)39-12-35-16-24(39)36-27(31)37-25(16)40;1-40-13-9-3-41-46(36,37)44-14-12(32-6-28-10-17(24)26-5-27-18(10)32)8-2-23(8,16(14)34)4-42-47(38,39)45-15(13)21(43-9)33-7-29-11-19(33)30-22(25)31-20(11)35;;/h10-12,14-15,23-26,28-29,32-36,43H,13,17-22H2,1-5,7-9H3,(H,49,50,53,60)(H2,54,55,56,59,61);10-14,17-21,26H,7-9H2,1-6H3,(H,41,42)(H,43,44)(H2,30,32,33)(H3,31,36,37,40);5-9,12-16,21,34H,2-4H2,1H3,(H,36,37)(H,38,39)(H2,24,26,27)(H3,25,30,31,35);;/q;;;2*+1/p-2/t28-,29-,32-,33-,34+,35-,36+,43-,46+,73?,74?;13-,14-,17-,18-,19+,20-,21+,26-,29+;8-,9-,12-,13-,14+,15-,16+,21-,23+;;/m111../s1
• InChIKey: LPAHFNIGQYTXAT-UANDBOBZSA-L
• XLogP: 0.30
• TPSA: 924.23 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 62
• Rotatable Bonds: 23
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2648.27
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide?

The IUPAC name of disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide (CID 159414754) is disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide.

What is the SMILES notation for disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide?

The canonical SMILES for disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide is CO[C@H]1[C@H]2OP(=O)(O)OC[C@@]34C[C@@H]3[C@@H](n3cnc5c(N)ncnc53)[C@H](OP(=O)(O)OC[C@H]1O[C@H]2n1cnc2c(=O)[nH]c(N)nc21)[C@@H]4O[Si](C)(C)C(C)(C)C.CO[C@H]1[C@H]2OP(=O)([O-])OC[C@@]34C[C@@H]3[C@@H](n3cnc5c(N)ncnc53)[C@H](OP(=O)([O-])OC[C@H]1O[C@H]2n1cnc2c(=O)[nH]c(N)nc21)[C@@H]4O.[C-]#[N+]CCOP1(=O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](OP(=O)(OCCC#N)OC[C@@]34C[C@@H]3[C@@H](n3cnc5c(NC(=O)c6ccccc6)ncnc53)[C@H](O1)[C@@H]4O[Si](C)(C)C(C)(C)C)[C@@H]2OC.[Na+].[Na+].

What is the InChIKey of disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide?

The InChIKey is LPAHFNIGQYTXAT-UANDBOBZSA-L. The full InChI is InChI=1S/C46H58N12O14P2Si.C29H42N10O12P2Si.C23H28N10O12P2.2Na/c1-26(2)40(59)55-44-54-39-31(42(61)56-44)52-25-58(39)43-35-33(64-7)29(69-43)21-67-73(62,66-19-17-48-6)70-34-32(57-24-51-30-37(49-23-50-38(30)57)53-41(60)27-14-11-10-12-15-27)28-20-46(28,36(34)72-75(8,9)45(3,4)5)22-68-74(63,71-35)65-18-13-16-47;1-28(2,3)54(5,6)51-21-19-17(38-11-34-15-22(30)32-10-33-23(15)38)13-7-29(13,21)9-47-53(43,44)50-20-18(45-4)14(8-46-52(41,42)49-19)48-26(20)39-12-35-16-24(39)36-27(31)37-25(16)40;1-40-13-9-3-41-46(36,37)44-14-12(32-6-28-10-17(24)26-5-27-18(10)32)8-2-23(8,16(14)34)4-42-47(38,39)45-15(13)21(43-9)33-7-29-11-19(33)30-22(25)31-20(11)35;;/h10-12,14-15,23-26,28-29,32-36,43H,13,17-22H2,1-5,7-9H3,(H,49,50,53,60)(H2,54,55,56,59,61);10-14,17-21,26H,7-9H2,1-6H3,(H,41,42)(H,43,44)(H2,30,32,33)(H3,31,36,37,40);5-9,12-16,21,34H,2-4H2,1H3,(H,36,37)(H,38,39)(H2,24,26,27)(H3,25,30,31,35);;/q;;;2*+1/p-2/t28-,29-,32-,33-,34+,35-,36+,43-,46+,73?,74?;13-,14-,17-,18-,19+,20-,21+,26-,29+;8-,9-,12-,13-,14+,15-,16+,21-,23+;;/m111../s1.

What are the key properties of disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide?

disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide has a molecular weight of 2648.27 g/mol, XLogP of 0.30, 23 rotatable bonds, 12 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-4,12-dihydroxy-19-methoxy-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-15-(6-aminopurin-9-yl)-18-hydroxy-19-methoxy-4,12-dioxido-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-7-yl]-1H-purin-6-one;N-[9-[(1R,6R,7R,9R,14S,15R,16S,18R,19R)-18-[tert-butyl(dimethyl)silyl]oxy-4-(2-cyanoethoxy)-12-(2-isocyanoethoxy)-19-methoxy-7-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4,12-dioxo-3,5,8,11,13-pentaoxa-4λ5,12λ5-diphosphatetracyclo[12.3.1.16,9.01,16]nonadecan-15-yl]purin-6-yl]benzamide is sourced from PubChem (CID 159414754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).