7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one

C115H129F3N42O55P10S10 — CID 163500407

About 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one

7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 163500407) has the molecular formula C115H129F3N42O55P10S10 and a molecular weight of 3666.94 g/mol. Its IUPAC name is 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 163500407
• Molecular Formula: C115H129F3N42O55P10S10
• Molecular Weight: 3666.94 g/mol
• Exact Mass: 3664.31
• IUPAC Name: 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one
• 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]2n1cnc2cc(N)ccc2c1=O.CO[C@H]1[C@H]2OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5cc(N)ccc5c4=O)[C@H](F)[C@@H]3OP(O)(=S)OC[C@H]1O[C@H]2n1cnc2c(N)ncnc21.CO[C@H]1[C@H]2OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5nc(N)ccc5c4=O)[C@H](F)[C@@H]3OP(O)(=S)OC[C@H]1O[C@H]2n1cnc2c(=O)[nH]c(N)nc21.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)cncc6c5=O)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n5cnc6ccncc6c5=O)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1
• InChI: InChI=1S/2C24H27FN8O10P2S2.C23H26FN9O11P2S2.C22H25N9O12P2S2.C22H24N8O12P2S2/c1-37-18-14-6-39-44(35,46)42-17-13(40-23(15(17)25)33-8-30-12-4-10(26)2-3-11(12)22(33)34)5-38-45(36,47)43-19(18)24(41-14)32-9-31-16-20(27)28-7-29-21(16)32;1-37-18-14-6-39-44(35,46)42-17-13(40-23(15(17)25)32-9-31-16-20(27)28-7-29-21(16)32)5-38-45(36,47)43-19(18)24(41-14)33-8-30-12-4-10(26)2-3-11(12)22(33)34;1-38-15-10-5-40-45(36,47)43-14-9(41-21(12(14)24)33-7-28-17-8(20(33)35)2-3-11(25)29-17)4-39-46(37,48)44-16(15)22(42-10)32-6-27-13-18(32)30-23(26)31-19(13)34;23-8-2-25-1-7-11(8)26-6-31(19(7)35)20-14(33)15-10(41-20)4-39-45(37,47)43-16-13(32)9(3-38-44(36,46)42-15)40-21(16)30-5-27-12-17(30)28-22(24)29-18(12)34;23-22-27-17-12(18(33)28-22)26-7-29(17)21-16-13(31)10(39-21)4-37-43(35,45)41-15-11(5-38-44(36,46)42-16)40-20(14(15)32)30-6-25-9-1-2-24-3-8(9)19(30)34/h2*2-4,7-9,13-15,17-19,23-24H,5-6,26H2,1H3,(H,35,46)(H,36,47)(H2,27,28,29);2-3,6-7,9-10,12,14-16,21-22H,4-5H2,1H3,(H2,25,29)(H,36,47)(H,37,48)(H3,26,30,31,34);1-2,5-6,9-10,13-16,20-21,32-33H,3-4,23H2,(H,36,46)(H,37,47)(H3,24,28,29,34);1-3,6-7,10-11,13-16,20-21,31-32H,4-5H2,(H,35,45)(H,36,46)(H3,23,27,28,33)/t2*13-,14-,15-,17-,18-,19-,23-,24-,44?,45?;9-,10-,12-,14-,15-,16-,21-,22-,45?,46?;9-,10-,13-,14-,15-,16-,20-,21-,44?,45?;10-,11-,13-,14-,15-,16-,20-,21-,43?,44?/m11111/s1
• InChIKey: CUGBGLKFJMUVCL-JDSNWGLXSA-N
• XLogP: -1.96
• TPSA: 1309.86 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 94
• Rotatable Bonds: 13
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3666.94
LogP ≤ 5	-1.96
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	94

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one (CID 163500407) is 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one 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]2n1cnc2cc(N)ccc2c1=O.CO[C@H]1[C@H]2OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5cc(N)ccc5c4=O)[C@H](F)[C@@H]3OP(O)(=S)OC[C@H]1O[C@H]2n1cnc2c(N)ncnc21.CO[C@H]1[C@H]2OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5nc(N)ccc5c4=O)[C@H](F)[C@@H]3OP(O)(=S)OC[C@H]1O[C@H]2n1cnc2c(=O)[nH]c(N)nc21.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)cncc6c5=O)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n5cnc6ccncc6c5=O)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.

What is the InChIKey of 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is CUGBGLKFJMUVCL-JDSNWGLXSA-N. The full InChI is InChI=1S/2C24H27FN8O10P2S2.C23H26FN9O11P2S2.C22H25N9O12P2S2.C22H24N8O12P2S2/c1-37-18-14-6-39-44(35,46)42-17-13(40-23(15(17)25)33-8-30-12-4-10(26)2-3-11(12)22(33)34)5-38-45(36,47)43-19(18)24(41-14)32-9-31-16-20(27)28-7-29-21(16)32;1-37-18-14-6-39-44(35,46)42-17-13(40-23(15(17)25)32-9-31-16-20(27)28-7-29-21(16)32)5-38-45(36,47)43-19(18)24(41-14)33-8-30-12-4-10(26)2-3-11(12)22(33)34;1-38-15-10-5-40-45(36,47)43-14-9(41-21(12(14)24)33-7-28-17-8(20(33)35)2-3-11(25)29-17)4-39-46(37,48)44-16(15)22(42-10)32-6-27-13-18(32)30-23(26)31-19(13)34;23-8-2-25-1-7-11(8)26-6-31(19(7)35)20-14(33)15-10(41-20)4-39-45(37,47)43-16-13(32)9(3-38-44(36,46)42-15)40-21(16)30-5-27-12-17(30)28-22(24)29-18(12)34;23-22-27-17-12(18(33)28-22)26-7-29(17)21-16-13(31)10(39-21)4-37-43(35,45)41-15-11(5-38-44(36,46)42-16)40-20(14(15)32)30-6-25-9-1-2-24-3-8(9)19(30)34/h2*2-4,7-9,13-15,17-19,23-24H,5-6,26H2,1H3,(H,35,46)(H,36,47)(H2,27,28,29);2-3,6-7,9-10,12,14-16,21-22H,4-5H2,1H3,(H2,25,29)(H,36,47)(H,37,48)(H3,26,30,31,34);1-2,5-6,9-10,13-16,20-21,32-33H,3-4,23H2,(H,36,46)(H,37,47)(H3,24,28,29,34);1-3,6-7,10-11,13-16,20-21,31-32H,4-5H2,(H,35,45)(H,36,46)(H3,23,27,28,33)/t2*13-,14-,15-,17-,18-,19-,23-,24-,44?,45?;9-,10-,12-,14-,15-,16-,21-,22-,45?,46?;9-,10-,13-,14-,15-,16-,20-,21-,44?,45?;10-,11-,13-,14-,15-,16-,20-,21-,43?,44?/m11111/s1.

What are the key properties of 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one?

7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 3666.94 g/mol, XLogP of -1.96, 13 rotatable bonds, 26 hydrogen bond donors, and 94 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one;7-amino-3-[(1R,6R,8R,9R,10R,15R,17R,18R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-18-methoxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;7-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]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-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]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 163500407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).