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

C124H171N39O61P10S9 — CID 167564035

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

[(1S,3R,6S,7R)-1-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [(1S,3R,6S,7R)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate;1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;ethane (PubChem CID 167564035) has the molecular formula C124H171N39O61P10S9 and a molecular weight of 3782.29 g/mol. Its IUPAC name is [(1S,3R,6S,7R)-1-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [(1S,3R,6S,7R)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate;1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;ethane.

Molecular Properties

• Compound Name: [(1S,3R,6S,7R)-1-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [(1S,3R,6S,7R)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate;1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;ethane
• PubChem CID: 167564035
• Molecular Formula: C124H171N39O61P10S9
• Molecular Weight: 3782.29 g/mol
• Exact Mass: 3779.63
• IUPAC Name: [(1S,3R,6S,7R)-1-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [(1S,3R,6S,7R)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate;1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;ethane
• SMILES: CC.CC.CC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)C[C@H]1OP(=O)(S)OC[C@]12O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O[C@H]1C)[C@H]2OP(=O)(O)OC[C@]12O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O[C@H]1C)[C@H]2OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(OCCOC)[C@H]1O.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC
• InChI: InChI=1S/C62H82N18O33P6S6.C58H77N21O28P4S3.2C2H6/c1-7-30-31(8-46(102-30)79-24-67-48-50(63)65-23-66-51(48)79)109-115(91,121)97-19-38-33(10-43(104-38)76-15-27(3)54(82)72-60(76)87)110-116(92,122)99-20-39-34(11-44(105-39)77-16-28(4)55(83)73-61(77)88)111-117(93,123)100-21-40-35(12-45(106-40)78-17-29(5)56(84)74-62(78)89)112-118(94,124)101-22-41-36(13-47(107-41)80-25-68-49-52(80)69-58(64)70-57(49)85)113-119(95,125)98-18-37-32(108-114(90,120)96-6)9-42(103-37)75-14-26(2)53(81)71-59(75)86;1-7-25-26(10-30(99-25)75-12-21(2)41(59)67-55(75)84)104-109(88,112)93-14-28-27(11-31(100-28)76-13-22(3)42(60)68-56(76)85)105-111(90,114)96-17-58-24(5)97-37(50(103-58)78-19-65-33-44(78)70-53(62)73-47(33)82)39(58)106-108(86,87)95-16-57-23(4)98-38(51(102-57)79-20-66-34-45(79)71-54(63)74-48(34)83)40(57)107-110(89,113)94-15-29-35(80)36(92-9-8-91-6)49(101-29)77-18-64-32-43(77)69-52(61)72-46(32)81;2*1-2/h14-17,23-25,30-47H,7-13,18-22H2,1-6H3,(H,90,120)(H,91,121)(H,92,122)(H,93,123)(H,94,124)(H,95,125)(H2,63,65,66)(H,71,81,86)(H,72,82,87)(H,73,83,88)(H,74,84,89)(H3,64,69,70,85);12-13,18-20,23-31,35-40,49-51,80H,7-11,14-17H2,1-6H3,(H,86,87)(H,88,112)(H,89,113)(H,90,114)(H2,59,67,84)(H2,60,68,85)(H3,61,69,72,81)(H3,62,70,73,82)(H3,63,71,74,83);2*1-2H3/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,114?,115?,116?,117?,118?,119?;23-,24-,25+,26+,27+,28+,29+,30+,31+,35-,36?,37?,38?,39+,40+,49+,50+,51+,57-,58-,109?,110?,111?;;/m10../s1
• InChIKey: FAQLALZRJWZHGX-TWRBMWJJSA-N
• XLogP: 1.08
• TPSA: 1328.73 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 91
• Rotatable Bonds: 65
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3782.29
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	91

Frequently Asked Questions

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

The IUPAC name of [(1S,3R,6S,7R)-1-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [(1S,3R,6S,7R)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate;1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;ethane (CID 167564035) is [(1S,3R,6S,7R)-1-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [(1S,3R,6S,7R)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate;1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;ethane.

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

The canonical SMILES for [(1S,3R,6S,7R)-1-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [(1S,3R,6S,7R)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate;1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;ethane is CC.CC.CC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)C[C@H]1OP(=O)(S)OC[C@]12O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O[C@H]1C)[C@H]2OP(=O)(O)OC[C@]12O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O[C@H]1C)[C@H]2OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(OCCOC)[C@H]1O.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1OP(O)(=S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC.

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

The InChIKey is FAQLALZRJWZHGX-TWRBMWJJSA-N. The full InChI is InChI=1S/C62H82N18O33P6S6.C58H77N21O28P4S3.2C2H6/c1-7-30-31(8-46(102-30)79-24-67-48-50(63)65-23-66-51(48)79)109-115(91,121)97-19-38-33(10-43(104-38)76-15-27(3)54(82)72-60(76)87)110-116(92,122)99-20-39-34(11-44(105-39)77-16-28(4)55(83)73-61(77)88)111-117(93,123)100-21-40-35(12-45(106-40)78-17-29(5)56(84)74-62(78)89)112-118(94,124)101-22-41-36(13-47(107-41)80-25-68-49-52(80)69-58(64)70-57(49)85)113-119(95,125)98-18-37-32(108-114(90,120)96-6)9-42(103-37)75-14-26(2)53(81)71-59(75)86;1-7-25-26(10-30(99-25)75-12-21(2)41(59)67-55(75)84)104-109(88,112)93-14-28-27(11-31(100-28)76-13-22(3)42(60)68-56(76)85)105-111(90,114)96-17-58-24(5)97-37(50(103-58)78-19-65-33-44(78)70-53(62)73-47(33)82)39(58)106-108(86,87)95-16-57-23(4)98-38(51(102-57)79-20-66-34-45(79)71-54(63)74-48(34)83)40(57)107-110(89,113)94-15-29-35(80)36(92-9-8-91-6)49(101-29)77-18-64-32-43(77)69-52(61)72-46(32)81;2*1-2/h14-17,23-25,30-47H,7-13,18-22H2,1-6H3,(H,90,120)(H,91,121)(H,92,122)(H,93,123)(H,94,124)(H,95,125)(H2,63,65,66)(H,71,81,86)(H,72,82,87)(H,73,83,88)(H,74,84,89)(H3,64,69,70,85);12-13,18-20,23-31,35-40,49-51,80H,7-11,14-17H2,1-6H3,(H,86,87)(H,88,112)(H,89,113)(H,90,114)(H2,59,67,84)(H2,60,68,85)(H3,61,69,72,81)(H3,62,70,73,82)(H3,63,71,74,83);2*1-2H3/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,114?,115?,116?,117?,118?,119?;23-,24-,25+,26+,27+,28+,29+,30+,31+,35-,36?,37?,38?,39+,40+,49+,50+,51+,57-,58-,109?,110?,111?;;/m10../s1.

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

[(1S,3R,6S,7R)-1-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [(1S,3R,6S,7R)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate;1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;ethane has a molecular weight of 3782.29 g/mol, XLogP of 1.08, 65 rotatable bonds, 26 hydrogen bond donors, and 91 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3R,6S,7R)-1-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [(1S,3R,6S,7R)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl hydrogen phosphate;1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;ethane is sourced from PubChem (CID 167564035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).