2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one

C87H103ClN36O49P8 — CID 164952513

About 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one

2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one (PubChem CID 164952513) has the molecular formula C87H103ClN36O49P8 and a molecular weight of 2720.23 g/mol. Its IUPAC name is 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-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: 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
• PubChem CID: 164952513
• Molecular Formula: C87H103ClN36O49P8
• Molecular Weight: 2720.23 g/mol
• Exact Mass: 2718.43
• IUPAC Name: 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
• SMILES: C[C@@H]1OP(=O)(O)O[C@@H]2C[C@@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ccnc54)O[C@H]31)O[C@H]2n1cnc2c(=O)[nH]c(N)nc21.C[C@H]1OP(=O)(O)O[C@@H]2C[C@@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ccnc54)O[C@@H]31)O[C@H]2n1cnc2c(=O)[nH]c(N)nc21.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](Cl)[C@H](n5cnc6c(N)ccnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@]34CO[C@@H]3C2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc5c(N)ccnc53)C(O)[C@H]2OP(=O)(O)OC4)c(=O)[nH]1
• InChI: InChI=1S/C22H25N9O13P2.2C22H27N9O12P2.C21H24ClN9O12P2/c23-8-1-2-25-16-10(8)26-6-30(16)19-12(32)13-9(41-19)3-39-45(34,35)44-14-15-22(4-38-15,5-40-46(36,37)43-13)42-20(14)31-7-27-11-17(31)28-21(24)29-18(11)33;2*1-8-15-16(14(32)21(40-15)30-6-26-12-10(23)2-3-25-17(12)30)43-44(34,35)38-5-9-4-11(42-45(36,37)41-8)20(39-9)31-7-27-13-18(31)28-22(24)29-19(13)33;22-10-14-9(41-19(10)30-5-26-11-7(23)1-2-25-16(11)30)4-39-45(36,37)43-15-13(32)8(3-38-44(34,35)42-14)40-20(15)31-6-27-12-17(31)28-21(24)29-18(12)33/h1-2,6-7,9,12-15,19-20,32H,3-5H2,(H2,23,25)(H,34,35)(H,36,37)(H3,24,28,29,33);2*2-3,6-9,11,14-16,20-21,32H,4-5H2,1H3,(H2,23,25)(H,34,35)(H,36,37)(H3,24,28,29,33);1-2,5-6,8-10,13-15,19-20,32H,3-4H2,(H2,23,25)(H,34,35)(H,36,37)(H3,24,28,29,33)/t9-,12?,13+,14?,15-,19-,20-,22-;8-,9+,11-,14-,15-,16+,20-,21-;8-,9-,11+,14+,15-,16-,20+,21+;8-,9-,10+,13-,14-,15-,19-,20-/m1101/s1
• InChIKey: ASRLDTSLJASQRO-DOHOPNTLSA-N
• XLogP: -2.46
• TPSA: 1195.35 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 73
• Rotatable Bonds: 8
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2720.23
LogP ≤ 5	-2.46
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	73

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-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 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one (CID 164952513) is 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-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 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-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 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one is C[C@@H]1OP(=O)(O)O[C@@H]2C[C@@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ccnc54)O[C@H]31)O[C@H]2n1cnc2c(=O)[nH]c(N)nc21.C[C@H]1OP(=O)(O)O[C@@H]2C[C@@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ccnc54)O[C@@H]31)O[C@H]2n1cnc2c(=O)[nH]c(N)nc21.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](Cl)[C@H](n5cnc6c(N)ccnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@]34CO[C@@H]3C2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc5c(N)ccnc53)C(O)[C@H]2OP(=O)(O)OC4)c(=O)[nH]1.

What is the InChIKey of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-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 ASRLDTSLJASQRO-DOHOPNTLSA-N. The full InChI is InChI=1S/C22H25N9O13P2.2C22H27N9O12P2.C21H24ClN9O12P2/c23-8-1-2-25-16-10(8)26-6-30(16)19-12(32)13-9(41-19)3-39-45(34,35)44-14-15-22(4-38-15,5-40-46(36,37)43-13)42-20(14)31-7-27-11-17(31)28-21(24)29-18(11)33;2*1-8-15-16(14(32)21(40-15)30-6-26-12-10(23)2-3-25-17(12)30)43-44(34,35)38-5-9-4-11(42-45(36,37)41-8)20(39-9)31-7-27-13-18(31)28-22(24)29-19(13)33;22-10-14-9(41-19(10)30-5-26-11-7(23)1-2-25-16(11)30)4-39-45(36,37)43-15-13(32)8(3-38-44(34,35)42-14)40-20(15)31-6-27-12-17(31)28-21(24)29-18(12)33/h1-2,6-7,9,12-15,19-20,32H,3-5H2,(H2,23,25)(H,34,35)(H,36,37)(H3,24,28,29,33);2*2-3,6-9,11,14-16,20-21,32H,4-5H2,1H3,(H2,23,25)(H,34,35)(H,36,37)(H3,24,28,29,33);1-2,5-6,8-10,13-15,19-20,32H,3-4H2,(H2,23,25)(H,34,35)(H,36,37)(H3,24,28,29,33)/t9-,12?,13+,14?,15-,19-,20-,22-;8-,9+,11-,14-,15-,16+,20-,21-;8-,9-,11+,14+,15-,16-,20+,21+;8-,9-,10+,13-,14-,15-,19-,20-/m1101/s1.

What are the key properties of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one?

2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-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 2720.23 g/mol, XLogP of -2.46, 8 rotatable bonds, 24 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10R,16R,20R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4,7,13-trihydroxy-4,13-dioxo-3,5,9,12,14,17,19-heptaoxa-4λ5,13λ5-diphosphatetracyclo[13.3.2.01,16.06,10]icosan-20-yl]-1H-purin-6-one;2-amino-9-[(1R,5S,6S,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,5R,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-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 164952513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).