5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

C81H92F2N36O46P8S12 — CID 163513748

About 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (PubChem CID 163513748) has the molecular formula C81H92F2N36O46P8S12 and a molecular weight of 2976.42 g/mol. Its IUPAC name is 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

• Compound Name: 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
• PubChem CID: 163513748
• Molecular Formula: C81H92F2N36O46P8S12
• Molecular Weight: 2976.42 g/mol
• Exact Mass: 2974.05
• IUPAC Name: 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
• SMILES: CO[C@H]1[C@H]2OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](F)[C@@H]3OP(O)(=S)OC[C@H]1O[C@H]2n1c(=O)sc2c(=O)[nH]c(N)nc21.Nc1nc2c(sc(=O)n2[C@@H]2O[C@@H]3COP(O)(=S)O[C@@H]4[C@H](O)[C@@H](COP(O)(=S)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c(N)ncnc32)c(=O)[nH]1.Nc1nc2c(sc(=O)n2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(sc(=O)n2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1
• InChI: InChI=1S/C21H24FN9O11P2S3.C20H22FN9O11P2S3.2C20H23N9O12P2S3/c1-36-11-7-3-38-43(34,45)41-10-6(39-18(8(10)22)30-5-27-9-14(23)25-4-26-15(9)30)2-37-44(35,46)42-12(11)19(40-7)31-16-13(47-21(31)33)17(32)29-20(24)28-16;21-7-10-6(39-17(7)29-4-26-8-13(22)24-3-25-14(8)29)2-37-43(35,45)41-11-9(31)5(1-36-42(34,44)40-10)38-18(11)30-15-12(46-20(30)33)16(32)28-19(23)27-15;21-13-7-14(24-3-23-13)28(4-25-7)18-11-8(30)5(38-18)1-36-42(34,44)40-10-6(2-37-43(35,45)41-11)39-17(9(10)31)29-15-12(46-20(29)33)16(32)27-19(22)26-15;21-13-7-14(24-3-23-13)28(4-25-7)17-9(31)10-6(39-17)2-37-43(35,45)41-11-8(30)5(1-36-42(34,44)40-10)38-18(11)29-15-12(46-20(29)33)16(32)27-19(22)26-15/h4-8,10-12,18-19H,2-3H2,1H3,(H,34,45)(H,35,46)(H2,23,25,26)(H3,24,28,29,32);3-7,9-11,17-18,31H,1-2H2,(H,34,44)(H,35,45)(H2,22,24,25)(H3,23,27,28,32);2*3-6,8-11,17-18,30-31H,1-2H2,(H,34,44)(H,35,45)(H2,21,23,24)(H3,22,26,27,32)/t6-,7-,8-,10-,11-,12-,18-,19-,43?,44?;5-,6-,7-,9-,10-,11-,17-,18-,42?,43?;2*5-,6-,8-,9-,10-,11-,17-,18-,42?,43?/m1111/s1
• InChIKey: DEXMAHGTYCVRMU-IZQUJXGTSA-N
• XLogP: -4.90
• TPSA: 1144.14 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 82
• Rotatable Bonds: 9
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2976.42
LogP ≤ 5	-4.90
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	82

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?

The IUPAC name of 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (CID 163513748) is 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.

What is the SMILES notation for 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?

The canonical SMILES for 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is CO[C@H]1[C@H]2OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](F)[C@@H]3OP(O)(=S)OC[C@H]1O[C@H]2n1c(=O)sc2c(=O)[nH]c(N)nc21.Nc1nc2c(sc(=O)n2[C@@H]2O[C@@H]3COP(O)(=S)O[C@@H]4[C@H](O)[C@@H](COP(O)(=S)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c(N)ncnc32)c(=O)[nH]1.Nc1nc2c(sc(=O)n2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(sc(=O)n2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.

What is the InChIKey of 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?

The InChIKey is DEXMAHGTYCVRMU-IZQUJXGTSA-N. The full InChI is InChI=1S/C21H24FN9O11P2S3.C20H22FN9O11P2S3.2C20H23N9O12P2S3/c1-36-11-7-3-38-43(34,45)41-10-6(39-18(8(10)22)30-5-27-9-14(23)25-4-26-15(9)30)2-37-44(35,46)42-12(11)19(40-7)31-16-13(47-21(31)33)17(32)29-20(24)28-16;21-7-10-6(39-17(7)29-4-26-8-13(22)24-3-25-14(8)29)2-37-43(35,45)41-11-9(31)5(1-36-42(34,44)40-10)38-18(11)30-15-12(46-20(30)33)16(32)28-19(23)27-15;21-13-7-14(24-3-23-13)28(4-25-7)18-11-8(30)5(38-18)1-36-42(34,44)40-10-6(2-37-43(35,45)41-11)39-17(9(10)31)29-15-12(46-20(29)33)16(32)27-19(22)26-15;21-13-7-14(24-3-23-13)28(4-25-7)17-9(31)10-6(39-17)2-37-43(35,45)41-11-8(30)5(1-36-42(34,44)40-10)38-18(11)29-15-12(46-20(29)33)16(32)27-19(22)26-15/h4-8,10-12,18-19H,2-3H2,1H3,(H,34,45)(H,35,46)(H2,23,25,26)(H3,24,28,29,32);3-7,9-11,17-18,31H,1-2H2,(H,34,44)(H,35,45)(H2,22,24,25)(H3,23,27,28,32);2*3-6,8-11,17-18,30-31H,1-2H2,(H,34,44)(H,35,45)(H2,21,23,24)(H3,22,26,27,32)/t6-,7-,8-,10-,11-,12-,18-,19-,43?,44?;5-,6-,7-,9-,10-,11-,17-,18-,42?,43?;2*5-,6-,8-,9-,10-,11-,17-,18-,42?,43?/m1111/s1.

What are the key properties of 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?

5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione has a molecular weight of 2976.42 g/mol, XLogP of -4.90, 9 rotatable bonds, 25 hydrogen bond donors, and 82 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-18-methoxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;5-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 163513748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).