disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one

C120H178ClN25Na2O33P6S6Si4+2 — CID 163611388

About disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one

disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one (PubChem CID 163611388) has the molecular formula C120H178ClN25Na2O33P6S6Si4+2 and a molecular weight of 3070.91 g/mol. Its IUPAC name is disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one.

Molecular Properties

• Compound Name: disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
• PubChem CID: 163611388
• Molecular Formula: C120H178ClN25Na2O33P6S6Si4+2
• Molecular Weight: 3070.91 g/mol
• Exact Mass: 3067.83
• IUPAC Name: disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]cnc54)[C@H](OP(=O)(S)OC[C@H]2O[C@H]1n1cc2c4c(ncnc41)CCCC2)[C@@H]3O[Si](C)(C)C(C)(C)C.CC[NH+](CC)CC.CC[NH+](CC)CC.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]3[C@@H](O)[C@H](n4cc5c6c(ncnc64)CCCC5)O[C@@H]3COP(O)(=S)O[C@@H]1[C@@H]2O.[C-]#[N+]CCOP1(=S)OC[C@H]2O[C@@H](n3cc4c5c(ncnc53)N(C(=O)c3ccccc3)CCC4)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(Cl)ncnc43)[C@H](O1)[C@@H]2O[Si](C)(C)C(C)(C)C.[Na+].[Na+]
• InChI: InChI=1S/C46H62ClN9O11P2S2Si2.C37H57N7O11P2S2Si2.C25H29N7O11P2S2.2C6H15N.2Na/c1-45(2,3)72(8,9)66-35-31-23-60-68(58,70)64-34-30(24-61-69(71,59-21-19-48-7)65-36(35)43(63-31)56-27-53-33-38(47)49-25-52-41(33)56)62-44(37(34)67-73(10,11)46(4,5)6)55-22-29-18-15-20-54(39-32(29)40(55)51-26-50-39)42(57)28-16-13-12-14-17-28;1-36(2,3)60(7,8)54-28-24-17-49-56(46,58)52-27-23(16-48-57(47,59)53-29(28)34(51-24)44-20-42-26-32(44)40-19-41-33(26)45)50-35(30(27)55-61(9,10)37(4,5)6)43-15-21-13-11-12-14-22-25(21)31(43)39-18-38-22;33-17-13-6-38-44(36,46)42-19-14(41-24(18(19)34)31-5-11-3-1-2-4-12-15(11)21(31)27-8-26-12)7-39-45(37,47)43-20(17)25(40-13)32-10-30-16-22(32)28-9-29-23(16)35;2*1-4-7(5-2)6-3;;/h12-14,16-17,22,25-27,30-31,34-37,43-44H,15,18-21,23-24H2,1-6,8-11H3,(H,58,70);15,18-20,23-24,27-30,34-35H,11-14,16-17H2,1-10H3,(H,46,58)(H,47,59)(H,40,41,45);5,8-10,13-14,17-20,24-25,33-34H,1-4,6-7H2,(H,36,46)(H,37,47)(H,28,29,35);2*4-6H2,1-3H3;;/q;;;;;2*+1/t30-,31-,34-,35-,36-,37-,43-,44-,68?,69?;23-,24-,27-,28-,29-,30-,34-,35-,56?,57?;13-,14-,17-,18-,19-,20-,24-,25-,44?,45?;;;;/m111..../s1
• InChIKey: YNRVOLFONXYICD-TZLCTLLTSA-N
• XLogP: 9.20
• TPSA: 652.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 55
• Rotatable Bonds: 24
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3070.91
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one?

The IUPAC name of disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one (CID 163611388) is disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one.

What is the SMILES notation for disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one?

The canonical SMILES for disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]cnc54)[C@H](OP(=O)(S)OC[C@H]2O[C@H]1n1cc2c4c(ncnc41)CCCC2)[C@@H]3O[Si](C)(C)C(C)(C)C.CC[NH+](CC)CC.CC[NH+](CC)CC.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]3[C@@H](O)[C@H](n4cc5c6c(ncnc64)CCCC5)O[C@@H]3COP(O)(=S)O[C@@H]1[C@@H]2O.[C-]#[N+]CCOP1(=S)OC[C@H]2O[C@@H](n3cc4c5c(ncnc53)N(C(=O)c3ccccc3)CCC4)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(Cl)ncnc43)[C@H](O1)[C@@H]2O[Si](C)(C)C(C)(C)C.[Na+].[Na+].

What is the InChIKey of disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one?

The InChIKey is YNRVOLFONXYICD-TZLCTLLTSA-N. The full InChI is InChI=1S/C46H62ClN9O11P2S2Si2.C37H57N7O11P2S2Si2.C25H29N7O11P2S2.2C6H15N.2Na/c1-45(2,3)72(8,9)66-35-31-23-60-68(58,70)64-34-30(24-61-69(71,59-21-19-48-7)65-36(35)43(63-31)56-27-53-33-38(47)49-25-52-41(33)56)62-44(37(34)67-73(10,11)46(4,5)6)55-22-29-18-15-20-54(39-32(29)40(55)51-26-50-39)42(57)28-16-13-12-14-17-28;1-36(2,3)60(7,8)54-28-24-17-49-56(46,58)52-27-23(16-48-57(47,59)53-29(28)34(51-24)44-20-42-26-32(44)40-19-41-33(26)45)50-35(30(27)55-61(9,10)37(4,5)6)43-15-21-13-11-12-14-22-25(21)31(43)39-18-38-22;33-17-13-6-38-44(36,46)42-19-14(41-24(18(19)34)31-5-11-3-1-2-4-12-15(11)21(31)27-8-26-12)7-39-45(37,47)43-20(17)25(40-13)32-10-30-16-22(32)28-9-29-23(16)35;2*1-4-7(5-2)6-3;;/h12-14,16-17,22,25-27,30-31,34-37,43-44H,15,18-21,23-24H2,1-6,8-11H3,(H,58,70);15,18-20,23-24,27-30,34-35H,11-14,16-17H2,1-10H3,(H,46,58)(H,47,59)(H,40,41,45);5,8-10,13-14,17-20,24-25,33-34H,1-4,6-7H2,(H,36,46)(H,37,47)(H,28,29,35);2*4-6H2,1-3H3;;/q;;;;;2*+1/t30-,31-,34-,35-,36-,37-,43-,44-,68?,69?;23-,24-,27-,28-,29-,30-,34-,35-,56?,57?;13-,14-,17-,18-,19-,20-,24-,25-,44?,45?;;;;/m111..../s1.

What are the key properties of disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one?

disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one has a molecular weight of 3070.91 g/mol, XLogP of 9.20, 24 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;[3-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-17-(6-chloropurin-9-yl)-12-hydroxy-3-(2-isocyanoethoxy)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]-phenylmethanone;9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;bis(triethylazanium);9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one is sourced from PubChem (CID 163611388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).