benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate

C165H200N30O48P6 — CID 158913060

About benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate

benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 158913060) has the molecular formula C165H200N30O48P6 and a molecular weight of 3557.42 g/mol. Its IUPAC name is benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate
• PubChem CID: 158913060
• Molecular Formula: C165H200N30O48P6
• Molecular Weight: 3557.42 g/mol
• Exact Mass: 3555.26
• IUPAC Name: benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate
• SMILES: CC(C)OC(=O)C(C)NP(=O)(Oc1cccc2ccccc12)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O.CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O.CC(NP(=O)(Oc1cccc2ccccc12)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O)C(=O)OC1CCCCC1.CC(NP(=O)(Oc1cccc2ccccc12)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O)C(=O)OCc1ccccc1.CCOC(=O)C(C)NP(=O)(Oc1cccc2ccccc12)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O.CCOC(=O)C(C)NP(=O)(Oc1ccccc1)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O
• InChI: InChI=1S/C32H34N5O8P.C31H38N5O8P.C28H34N5O8P.C27H32N5O8P.C24H32N5O8P.C23H30N5O8P/c1-19(32(40)42-17-21-9-4-3-5-10-21)36-46(41,45-25-14-8-12-22-11-6-7-13-23(22)25)44-20(2)29-27(38)28(39)31(43-29)37-18-35-26-24(33)15-16-34-30(26)37;1-18(31(39)41-21-11-4-3-5-12-21)35-45(40,44-24-14-8-10-20-9-6-7-13-22(20)24)43-19(2)28-26(37)27(38)30(42-28)36-17-34-25-23(32)15-16-33-29(25)36;1-15(2)38-28(36)16(3)32-42(37,41-21-11-7-9-18-8-5-6-10-19(18)21)40-17(4)25-23(34)24(35)27(39-25)33-14-31-22-20(29)12-13-30-26(22)33;1-4-37-27(35)15(2)31-41(36,40-20-11-7-9-17-8-5-6-10-18(17)20)39-16(3)24-22(33)23(34)26(38-24)32-14-30-21-19(28)12-13-29-25(21)32;1-13(2)34-24(32)14(3)28-38(33,37-16-8-6-5-7-9-16)36-15(4)21-19(30)20(31)23(35-21)29-12-27-18-17(25)10-11-26-22(18)29;1-4-33-23(31)13(2)27-37(32,36-15-8-6-5-7-9-15)35-14(3)20-18(29)19(30)22(34-20)28-12-26-17-16(24)10-11-25-21(17)28/h3-16,18-20,27-29,31,38-39H,17H2,1-2H3,(H2,33,34)(H,36,41);6-10,13-19,21,26-28,30,37-38H,3-5,11-12H2,1-2H3,(H2,32,33)(H,35,40);5-17,23-25,27,34-35H,1-4H3,(H2,29,30)(H,32,37);5-16,22-24,26,33-34H,4H2,1-3H3,(H2,28,29)(H,31,36);5-15,19-21,23,30-31H,1-4H3,(H2,25,26)(H,28,33);5-14,18-20,22,29-30H,4H2,1-3H3,(H2,24,25)(H,27,32)/t19?,20?,27?,28?,29-,31-,46?;18?,19?,26?,27?,28-,30-,45?;16?,17?,23?,24?,25-,27-,42?;15?,16?,22?,23?,24-,26-,41?;14?,15?,19?,20?,21-,23-,38?;13?,14?,18?,19?,20-,22-,37?/m111111/s1
• InChIKey: JGWUHMHWVJZRNM-NZPPJZHGSA-N
• XLogP: 18.48
• TPSA: 1081.68 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 72
• Rotatable Bonds: 61
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3557.42
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	72

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate?

The IUPAC name of benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate (CID 158913060) is benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate.

What is the SMILES notation for benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate?

The canonical SMILES for benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate is CC(C)OC(=O)C(C)NP(=O)(Oc1cccc2ccccc12)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O.CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O.CC(NP(=O)(Oc1cccc2ccccc12)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O)C(=O)OC1CCCCC1.CC(NP(=O)(Oc1cccc2ccccc12)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O)C(=O)OCc1ccccc1.CCOC(=O)C(C)NP(=O)(Oc1cccc2ccccc12)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O.CCOC(=O)C(C)NP(=O)(Oc1ccccc1)OC(C)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)C1O.

What is the InChIKey of benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate?

The InChIKey is JGWUHMHWVJZRNM-NZPPJZHGSA-N. The full InChI is InChI=1S/C32H34N5O8P.C31H38N5O8P.C28H34N5O8P.C27H32N5O8P.C24H32N5O8P.C23H30N5O8P/c1-19(32(40)42-17-21-9-4-3-5-10-21)36-46(41,45-25-14-8-12-22-11-6-7-13-23(22)25)44-20(2)29-27(38)28(39)31(43-29)37-18-35-26-24(33)15-16-34-30(26)37;1-18(31(39)41-21-11-4-3-5-12-21)35-45(40,44-24-14-8-10-20-9-6-7-13-22(20)24)43-19(2)28-26(37)27(38)30(42-28)36-17-34-25-23(32)15-16-33-29(25)36;1-15(2)38-28(36)16(3)32-42(37,41-21-11-7-9-18-8-5-6-10-19(18)21)40-17(4)25-23(34)24(35)27(39-25)33-14-31-22-20(29)12-13-30-26(22)33;1-4-37-27(35)15(2)31-41(36,40-20-11-7-9-17-8-5-6-10-18(17)20)39-16(3)24-22(33)23(34)26(38-24)32-14-30-21-19(28)12-13-29-25(21)32;1-13(2)34-24(32)14(3)28-38(33,37-16-8-6-5-7-9-16)36-15(4)21-19(30)20(31)23(35-21)29-12-27-18-17(25)10-11-26-22(18)29;1-4-33-23(31)13(2)27-37(32,36-15-8-6-5-7-9-15)35-14(3)20-18(29)19(30)22(34-20)28-12-26-17-16(24)10-11-25-21(17)28/h3-16,18-20,27-29,31,38-39H,17H2,1-2H3,(H2,33,34)(H,36,41);6-10,13-19,21,26-28,30,37-38H,3-5,11-12H2,1-2H3,(H2,32,33)(H,35,40);5-17,23-25,27,34-35H,1-4H3,(H2,29,30)(H,32,37);5-16,22-24,26,33-34H,4H2,1-3H3,(H2,28,29)(H,31,36);5-15,19-21,23,30-31H,1-4H3,(H2,25,26)(H,28,33);5-14,18-20,22,29-30H,4H2,1-3H3,(H2,24,25)(H,27,32)/t19?,20?,27?,28?,29-,31-,46?;18?,19?,26?,27?,28-,30-,45?;16?,17?,23?,24?,25-,27-,42?;15?,16?,22?,23?,24-,26-,41?;14?,15?,19?,20?,21-,23-,38?;13?,14?,18?,19?,20-,22-,37?/m111111/s1.

What are the key properties of benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate?

benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 3557.42 g/mol, XLogP of 18.48, 61 rotatable bonds, 24 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;cyclohexyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;ethyl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[1-[(2S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 158913060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).