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

C87H108N31O42P7S7 — CID 174121306

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

1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[hydroxy-[[(1S,3R,4S,6S)-7-hydroxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 174121306) has the molecular formula C87H108N31O42P7S7 and a molecular weight of 2701.28 g/mol. Its IUPAC name is 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[hydroxy-[[(1S,3R,4S,6S)-7-hydroxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[hydroxy-[[(1S,3R,4S,6S)-7-hydroxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 174121306
• Molecular Formula: C87H108N31O42P7S7
• Molecular Weight: 2701.28 g/mol
• Exact Mass: 2699.35
• IUPAC Name: 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[hydroxy-[[(1S,3R,4S,6S)-7-hydroxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)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[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP(O)(=S)OC[C@@]12O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H](O[C@H]1C)C2OP(O)(=S)OC[C@@]12O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H](O[C@H]1C)C2OP(O)(=S)OC[C@@]12O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](O[C@H]1C)C2O
• InChI: InChI=1S/C87H108N31O42P7S7/c1-8-37-38(9-47(146-37)111-14-31(2)70(120)108-82(111)126)154-161(129,168)136-18-44-40(11-49(148-44)114-26-97-52-63(88)93-24-95-65(52)114)156-163(131,170)139-20-46-42(13-51(150-46)116-28-99-54-67(116)102-79(90)105-73(54)123)157-164(132,171)138-19-45-41(12-50(149-45)115-27-98-53-64(89)94-25-96-66(53)115)155-162(130,169)137-17-43-39(10-48(147-43)112-15-32(3)71(121)109-83(112)127)158-165(133,172)141-22-86-35(6)144-58(77(152-86)117-29-100-55-68(117)103-80(91)106-74(55)124)61(86)160-167(135,174)142-23-87-36(7)145-59(78(153-87)118-30-101-56-69(118)104-81(92)107-75(56)125)62(87)159-166(134,173)140-21-85-34(5)143-57(60(85)119)76(151-85)113-16-33(4)72(122)110-84(113)128/h14-16,24-30,34-51,57-62,76-78,119H,8-13,17-23H2,1-7H3,(H,129,168)(H,130,169)(H,131,170)(H,132,171)(H,133,172)(H,134,173)(H,135,174)(H2,88,93,95)(H2,89,94,96)(H,108,120,126)(H,109,121,127)(H,110,122,128)(H3,90,102,105,123)(H3,91,103,106,124)(H3,92,104,107,125)/t34-,35-,36-,37+,38?,39?,40?,41?,42?,43+,44+,45+,46+,47+,48+,49+,50+,51+,57-,58-,59-,60?,61?,62?,76+,77+,78+,85+,86+,87+,161?,162?,163?,164?,165?,166?,167?/m0/s1
• InChIKey: QCMQFXJBJXFWTB-KFAQFDLVSA-N
• XLogP: -0.92
• TPSA: 962.02 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 67
• Rotatable Bonds: 44
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2701.28
LogP ≤ 5	-0.92
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	67

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

The IUPAC name of 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[hydroxy-[[(1S,3R,4S,6S)-7-hydroxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 174121306) is 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[hydroxy-[[(1S,3R,4S,6S)-7-hydroxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

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

The canonical SMILES for 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[hydroxy-[[(1S,3R,4S,6S)-7-hydroxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)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[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OP(O)(=S)OC[C@@]12O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H](O[C@H]1C)C2OP(O)(=S)OC[C@@]12O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H](O[C@H]1C)C2OP(O)(=S)OC[C@@]12O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](O[C@H]1C)C2O.

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

The InChIKey is QCMQFXJBJXFWTB-KFAQFDLVSA-N. The full InChI is InChI=1S/C87H108N31O42P7S7/c1-8-37-38(9-47(146-37)111-14-31(2)70(120)108-82(111)126)154-161(129,168)136-18-44-40(11-49(148-44)114-26-97-52-63(88)93-24-95-65(52)114)156-163(131,170)139-20-46-42(13-51(150-46)116-28-99-54-67(116)102-79(90)105-73(54)123)157-164(132,171)138-19-45-41(12-50(149-45)115-27-98-53-64(89)94-25-96-66(53)115)155-162(130,169)137-17-43-39(10-48(147-43)112-15-32(3)71(121)109-83(112)127)158-165(133,172)141-22-86-35(6)144-58(77(152-86)117-29-100-55-68(117)103-80(91)106-74(55)124)61(86)160-167(135,174)142-23-87-36(7)145-59(78(153-87)118-30-101-56-69(118)104-81(92)107-75(56)125)62(87)159-166(134,173)140-21-85-34(5)143-57(60(85)119)76(151-85)113-16-33(4)72(122)110-84(113)128/h14-16,24-30,34-51,57-62,76-78,119H,8-13,17-23H2,1-7H3,(H,129,168)(H,130,169)(H,131,170)(H,132,171)(H,133,172)(H,134,173)(H,135,174)(H2,88,93,95)(H2,89,94,96)(H,108,120,126)(H,109,121,127)(H,110,122,128)(H3,90,102,105,123)(H3,91,103,106,124)(H3,92,104,107,125)/t34-,35-,36-,37+,38?,39?,40?,41?,42?,43+,44+,45+,46+,47+,48+,49+,50+,51+,57-,58-,59-,60?,61?,62?,76+,77+,78+,85+,86+,87+,161?,162?,163?,164?,165?,166?,167?/m0/s1.

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

1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[hydroxy-[[(1S,3R,4S,6S)-7-hydroxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 2701.28 g/mol, XLogP of -0.92, 44 rotatable bonds, 19 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(1R,3R,4S,6S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[hydroxy-[[(1S,3R,4S,6S)-7-hydroxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 174121306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).