1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

C88H117N26O40P7S7 — CID 174121280

About 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-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)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 174121280) has the molecular formula C88H117N26O40P7S7 and a molecular weight of 2620.33 g/mol. Its IUPAC name is 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-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)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 174121280
• Molecular Formula: C88H117N26O40P7S7
• Molecular Weight: 2620.33 g/mol
• Exact Mass: 2618.41
• IUPAC Name: 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: C=C1N=C(N)C(C)=CN1[C@@H]1O[C@@]2(COP(O)(=S)OC3[C@@H]4O[C@@H](C)[C@@]3(COP(=O)(S)OC3[C@@H]5O[C@@H](C)[C@@]3(COP(O)(=S)OC3C[C@H](n6cnc7c(N)ncnc76)O[C@@H]3COP(O)(=S)OC3C[C@H](n6cnc7c(N)ncnc76)O[C@@H]3COP(O)(=S)OC3C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]3COP(O)(=S)OC3C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]3COP(O)(=S)OC3C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]3CC)O[C@H]5n3cc(C)c(=O)[nH]c3=O)O[C@H]4n3cc(C)c(N)nc3=O)C(O)[C@@H]1O[C@H]2C
• InChI: InChI=1S/C88H117N26O40P7S7/c1-12-45-46(13-55(140-45)110-22-39(6)76(116)105-84(110)121)148-155(123,162)130-24-51-47(14-56(141-51)108-19-36(3)69(90)102-81(108)118)149-156(124,163)131-25-52-48(15-57(142-52)109-20-37(4)70(91)103-82(109)119)150-157(125,164)132-26-53-49(16-58(143-53)113-33-99-60-72(93)95-31-97-74(60)113)151-158(126,165)133-27-54-50(17-59(144-54)114-34-100-61-73(94)96-32-98-75(61)114)152-159(127,166)135-29-87-42(9)139-64(80(147-87)112-23-40(7)77(117)106-85(112)122)67(87)154-161(129,168)136-30-88-43(10)138-63(79(146-88)111-21-38(5)71(92)104-83(111)120)66(88)153-160(128,167)134-28-86-41(8)137-62(65(86)115)78(145-86)107-18-35(2)68(89)101-44(107)11/h18-23,31-34,41-43,45-59,62-67,78-80,115H,11-17,24-30H2,1-10H3,(H2,89,101)(H,123,162)(H,124,163)(H,125,164)(H,126,165)(H,127,166)(H,128,167)(H,129,168)(H2,90,102,118)(H2,91,103,119)(H2,92,104,120)(H2,93,95,97)(H2,94,96,98)(H,105,116,121)(H,106,117,122)/t41-,42-,43-,45+,46?,47?,48?,49?,50?,51+,52+,53+,54+,55+,56+,57+,58+,59+,62-,63-,64-,65?,66?,67?,78+,79+,80+,86+,87+,88+,155?,156?,157?,158?,159?,160?,161?/m0/s1
• InChIKey: UGZCXBWQNASJPU-IDECLXKNSA-N
• XLogP: 1.39
• TPSA: 862.74 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 64
• Rotatable Bonds: 44
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2620.33
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	64

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)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-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)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 174121280) is 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-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)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-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)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is C=C1N=C(N)C(C)=CN1[C@@H]1O[C@@]2(COP(O)(=S)OC3[C@@H]4O[C@@H](C)[C@@]3(COP(=O)(S)OC3[C@@H]5O[C@@H](C)[C@@]3(COP(O)(=S)OC3C[C@H](n6cnc7c(N)ncnc76)O[C@@H]3COP(O)(=S)OC3C[C@H](n6cnc7c(N)ncnc76)O[C@@H]3COP(O)(=S)OC3C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]3COP(O)(=S)OC3C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]3COP(O)(=S)OC3C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]3CC)O[C@H]5n3cc(C)c(=O)[nH]c3=O)O[C@H]4n3cc(C)c(N)nc3=O)C(O)[C@@H]1O[C@H]2C.

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

The InChIKey is UGZCXBWQNASJPU-IDECLXKNSA-N. The full InChI is InChI=1S/C88H117N26O40P7S7/c1-12-45-46(13-55(140-45)110-22-39(6)76(116)105-84(110)121)148-155(123,162)130-24-51-47(14-56(141-51)108-19-36(3)69(90)102-81(108)118)149-156(124,163)131-25-52-48(15-57(142-52)109-20-37(4)70(91)103-82(109)119)150-157(125,164)132-26-53-49(16-58(143-53)113-33-99-60-72(93)95-31-97-74(60)113)151-158(126,165)133-27-54-50(17-59(144-54)114-34-100-61-73(94)96-32-98-75(61)114)152-159(127,166)135-29-87-42(9)139-64(80(147-87)112-23-40(7)77(117)106-85(112)122)67(87)154-161(129,168)136-30-88-43(10)138-63(79(146-88)111-21-38(5)71(92)104-83(111)120)66(88)153-160(128,167)134-28-86-41(8)137-62(65(86)115)78(145-86)107-18-35(2)68(89)101-44(107)11/h18-23,31-34,41-43,45-59,62-67,78-80,115H,11-17,24-30H2,1-10H3,(H2,89,101)(H,123,162)(H,124,163)(H,125,164)(H,126,165)(H,127,166)(H,128,167)(H,129,168)(H2,90,102,118)(H2,91,103,119)(H2,92,104,120)(H2,93,95,97)(H2,94,96,98)(H,105,116,121)(H,106,117,122)/t41-,42-,43-,45+,46?,47?,48?,49?,50?,51+,52+,53+,54+,55+,56+,57+,58+,59+,62-,63-,64-,65?,66?,67?,78+,79+,80+,86+,87+,88+,155?,156?,157?,158?,159?,160?,161?/m0/s1.

What are the key properties of 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-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)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 2620.33 g/mol, XLogP of 1.39, 44 rotatable bonds, 16 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,5R)-4-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(2R,5R)-3-[[(1R,3R,4S,6S)-7-[[(1R,3R,4S,6S)-7-[[(1S,3R,4S,6S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphoryl]oxy-6-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 174121280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).