1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C84H106N32O41P8S8 — CID 171424824

About 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 171424824) has the molecular formula C84H106N32O41P8S8 and a molecular weight of 2724.28 g/mol. Its IUPAC name is 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 171424824
• Molecular Formula: C84H106N32O41P8S8
• Molecular Weight: 2724.28 g/mol
• Exact Mass: 2722.29
• IUPAC Name: 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: CC[C@]12O[C@@H](n3ccc(N)nc3=O)[C@@H](O[C@H]1C)C2OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OP(O)(=S)OC[C@]12O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O[C@H]1C)C2OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OP(O)(=S)OC
• InChI: InChI=1S/C84H106N32O41P8S8/c1-6-83-34(3)140-61(76(148-83)109-9-7-48(85)102-80(109)121)63(83)156-163(129,171)137-22-43-37(11-50(142-43)111-17-33(2)73(118)108-82(111)123)151-159(125,167)135-20-45-40(16-55(147-45)116-32-101-60-72(116)105-79(90)107-75(60)120)154-162(128,170)136-21-46-41(15-53(144-46)114-30-99-58-67(88)93-27-96-70(58)114)155-165(131,173)139-24-84-35(4)141-62(77(149-84)110-10-8-49(117)103-81(110)122)64(84)157-164(130,172)138-23-47-39(14-52(145-47)113-29-98-57-66(87)92-26-95-69(57)113)153-161(127,169)134-19-44-38(13-51(143-44)112-28-97-56-65(86)91-25-94-68(56)112)152-160(126,168)133-18-42-36(150-158(124,166)132-5)12-54(146-42)115-31-100-59-71(115)104-78(89)106-74(59)119/h7-10,17,25-32,34-47,50-55,61-64,76-77H,6,11-16,18-24H2,1-5H3,(H,124,166)(H,125,167)(H,126,168)(H,127,169)(H,128,170)(H,129,171)(H,130,172)(H,131,173)(H2,85,102,121)(H2,86,91,94)(H2,87,92,95)(H2,88,93,96)(H,103,117,122)(H,108,118,123)(H3,89,104,106,119)(H3,90,105,107,120)/t34-,35-,36?,37?,38?,39?,40?,41?,42+,43+,44+,45+,46+,47+,50+,51+,52+,53+,54+,55+,61-,62-,63?,64?,76+,77+,83-,84-,158?,159?,160?,161?,162?,163?,164?,165?/m0/s1
• InChIKey: VOTQXRQKHZCUED-QHQOJQHGSA-N
• XLogP: 0.58
• TPSA: 957.33 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 69
• Rotatable Bonds: 47
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2724.28
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	69

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 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 171424824) is 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is CC[C@]12O[C@@H](n3ccc(N)nc3=O)[C@@H](O[C@H]1C)C2OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OP(O)(=S)OC[C@]12O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O[C@H]1C)C2OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OP(O)(=S)OC.

What is the InChIKey of 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is VOTQXRQKHZCUED-QHQOJQHGSA-N. The full InChI is InChI=1S/C84H106N32O41P8S8/c1-6-83-34(3)140-61(76(148-83)109-9-7-48(85)102-80(109)121)63(83)156-163(129,171)137-22-43-37(11-50(142-43)111-17-33(2)73(118)108-82(111)123)151-159(125,167)135-20-45-40(16-55(147-45)116-32-101-60-72(116)105-79(90)107-75(60)120)154-162(128,170)136-21-46-41(15-53(144-46)114-30-99-58-67(88)93-27-96-70(58)114)155-165(131,173)139-24-84-35(4)141-62(77(149-84)110-10-8-49(117)103-81(110)122)64(84)157-164(130,172)138-23-47-39(14-52(145-47)113-29-98-57-66(87)92-26-95-69(57)113)153-161(127,169)134-19-44-38(13-51(143-44)112-28-97-56-65(86)91-25-94-68(56)112)152-160(126,168)133-18-42-36(150-158(124,166)132-5)12-54(146-42)115-31-100-59-71(115)104-78(89)106-74(59)119/h7-10,17,25-32,34-47,50-55,61-64,76-77H,6,11-16,18-24H2,1-5H3,(H,124,166)(H,125,167)(H,126,168)(H,127,169)(H,128,170)(H,129,171)(H,130,172)(H,131,173)(H2,85,102,121)(H2,86,91,94)(H2,87,92,95)(H2,88,93,96)(H,103,117,122)(H,108,118,123)(H3,89,104,106,119)(H3,90,105,107,120)/t34-,35-,36?,37?,38?,39?,40?,41?,42+,43+,44+,45+,46+,47+,50+,51+,52+,53+,54+,55+,61-,62-,63?,64?,76+,77+,83-,84-,158?,159?,160?,161?,162?,163?,164?,165?/m0/s1.

What are the key properties of 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 2724.28 g/mol, XLogP of 0.58, 47 rotatable bonds, 18 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(1S,3R,4S,6S)-7-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(2,4-dioxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[(1S,3R,4S,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-1-ethyl-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 171424824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).