2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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

C87H104N36O48P8 — CID 165083260

About 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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 (PubChem CID 165083260) has the molecular formula C87H104N36O48P8 and a molecular weight of 2669.78 g/mol. Its IUPAC name is 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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.

Molecular Properties

• Compound Name: 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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
• PubChem CID: 165083260
• Molecular Formula: C87H104N36O48P8
• Molecular Weight: 2669.78 g/mol
• Exact Mass: 2668.47
• IUPAC Name: 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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
• 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]1[C@@H]2OP(=O)(O)OC[C@@H]3C[C@@H](OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c(N)ccnc21)[C@H](n1cnc2c(=O)[nH]c(N)nc21)O3.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ccnc65)O[C@@H]4COP(=O)(O)O[C@@H]2C3)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.C22H27N9O12P2.C22H27N9O11P2.C21H25N9O12P2/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;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;1-9-16-13(40-20(9)30-7-26-14-11(23)2-3-25-17(14)30)6-38-43(33,34)41-12-4-10(5-37-44(35,36)42-16)39-21(12)31-8-27-15-18(31)28-22(24)29-19(15)32;22-9-1-2-24-16-12(9)25-6-29(16)20-14(31)15-11(40-20)5-38-43(33,34)41-10-3-8(4-37-44(35,36)42-15)39-19(10)30-7-26-13-17(30)27-21(23)28-18(13)32/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);2-3,6-9,11,14-16,20-21,32H,4-5H2,1H3,(H2,23,25)(H,34,35)(H,36,37)(H3,24,28,29,33);2-3,7-10,12-13,16,20-21H,4-6H2,1H3,(H2,23,25)(H,33,34)(H,35,36)(H3,24,28,29,32);1-2,6-8,10-11,14-15,19-20,31H,3-5H2,(H2,22,24)(H,33,34)(H,35,36)(H3,23,27,28,32)/t9-,12?,13+,14?,15-,19-,20-,22-;8-,9-,11+,14+,15-,16-,20+,21+;9-,10-,12+,13+,16-,20+,21+;8-,10+,11+,14+,15+,19+,20+/m1000/s1
• InChIKey: VMAFSYWWEMUMMH-OTDPXOEPSA-N
• XLogP: -1.79
• TPSA: 1175.12 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 72
• Rotatable Bonds: 8
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2669.78
LogP ≤ 5	-1.79
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	72

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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?

The IUPAC name of 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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 (CID 165083260) is 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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.

What is the SMILES notation for 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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?

The canonical SMILES for 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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 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]1[C@@H]2OP(=O)(O)OC[C@@H]3C[C@@H](OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c(N)ccnc21)[C@H](n1cnc2c(=O)[nH]c(N)nc21)O3.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ccnc65)O[C@@H]4COP(=O)(O)O[C@@H]2C3)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,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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?

The InChIKey is VMAFSYWWEMUMMH-OTDPXOEPSA-N. The full InChI is InChI=1S/C22H25N9O13P2.C22H27N9O12P2.C22H27N9O11P2.C21H25N9O12P2/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;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;1-9-16-13(40-20(9)30-7-26-14-11(23)2-3-25-17(14)30)6-38-43(33,34)41-12-4-10(5-37-44(35,36)42-16)39-21(12)31-8-27-15-18(31)28-22(24)29-19(15)32;22-9-1-2-24-16-12(9)25-6-29(16)20-14(31)15-11(40-20)5-38-43(33,34)41-10-3-8(4-37-44(35,36)42-15)39-19(10)30-7-26-13-17(30)27-21(23)28-18(13)32/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);2-3,6-9,11,14-16,20-21,32H,4-5H2,1H3,(H2,23,25)(H,34,35)(H,36,37)(H3,24,28,29,33);2-3,7-10,12-13,16,20-21H,4-6H2,1H3,(H2,23,25)(H,33,34)(H,35,36)(H3,24,28,29,32);1-2,6-8,10-11,14-15,19-20,31H,3-5H2,(H2,22,24)(H,33,34)(H,35,36)(H3,23,27,28,32)/t9-,12?,13+,14?,15-,19-,20-,22-;8-,9-,11+,14+,15-,16-,20+,21+;9-,10-,12+,13+,16-,20+,21+;8-,10+,11+,14+,15+,19+,20+/m1000/s1.

What are the key properties of 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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 has a molecular weight of 2669.78 g/mol, XLogP of -1.79, 8 rotatable bonds, 23 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(1R,6R,8R,9S,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,12-dihydroxy-9-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,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,6R,8R,9R,10S,15S,17R)-8-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,9,12-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,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 is sourced from PubChem (CID 165083260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).