1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C75H103N25O36P5S5-5 — CID 162454013

IUPAC1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOCCOC1[C@@H](OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(OCCOC)[C@H]2O)[C@@H](COP([O-])(=S)O[C@@H]2C(OCCOC)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP([O-])(=S)O[C@@H]2C(OCCOC)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)([S-])O[C@@H]2C(OCCOC)[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP([O-])(=S)O[C@@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C)O[C@H]1N1C=C(C)C(N)NC1=O
InChIInChI=1S/C75H108N25O36P5S5/c1-34-20-95(74(104)91-58(34)76)69-54(117-15-10-112-5)50(133-138(107,143)121-22-38-48(101)53(116-14-9-111-4)68(127-38)98-31-88-45-60(78)82-28-85-63(45)98)40(128-69)24-123-140(109,145)136-52-42(131-72(57(52)120-18-13-115-8)100-33-90-47-65(100)92-73(80)93-67(47)103)26-125-141(110,146)135-51-41(130-71(56(51)119-17-12-114-7)99-32-89-46-61(79)83-29-86-64(46)99)25-124-139(108,144)134-49-39(129-70(55(49)118-16-11-113-6)96-21-35(2)66(102)94-75(96)105)23-122-137(106,142)132-37-19-43(126-36(37)3)97-30-87-44-59(77)81-27-84-62(44)97/h20-21,27-33,36-43,48-58,68-72,101H,9-19,22-26,76H2,1-8H3,(H,91,104)(H,106,142)(H,107,143)(H,108,144)(H,109,145)(H,110,146)(H2,77,81,84)(H2,78,82,85)(H2,79,83,86)(H,94,102,105)(H3,80,92,93,103)/p-5/t36-,37-,38-,39-,40-,41-,42-,43-,48+,49+,50+,51+,52+,53?,54?,55?,56?,57?,58?,68-,69-,70-,71-,72-,137?,138?,139?,140?,141?/m1/s1
InChIKeyADXQLCVSMJGSGS-ZOBBILRFSA-I
MW2245.99 g/mol
LogP-3.82
Rot. Bonds51

About 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 162454013) has the molecular formula C75H103N25O36P5S5-5 and a molecular weight of 2245.99 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID162454013
Molecular FormulaC75H103N25O36P5S5-5
Molecular Weight2245.99 g/mol
Exact Mass2244.43
IUPAC Name1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOCCOC1[C@@H](OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(OCCOC)[C@H]2O)[C@@H](COP([O-])(=S)O[C@@H]2C(OCCOC)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP([O-])(=S)O[C@@H]2C(OCCOC)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)([S-])O[C@@H]2C(OCCOC)[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP([O-])(=S)O[C@@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C)O[C@H]1N1C=C(C)C(N)NC1=O
InChIInChI=1S/C75H108N25O36P5S5/c1-34-20-95(74(104)91-58(34)76)69-54(117-15-10-112-5)50(133-138(107,143)121-22-38-48(101)53(116-14-9-111-4)68(127-38)98-31-88-45-60(78)82-28-85-63(45)98)40(128-69)24-123-140(109,145)136-52-42(131-72(57(52)120-18-13-115-8)100-33-90-47-65(100)92-73(80)93-67(47)103)26-125-141(110,146)135-51-41(130-71(56(51)119-17-12-114-7)99-32-89-46-61(79)83-29-86-64(46)99)25-124-139(108,144)134-49-39(129-70(55(49)118-16-11-113-6)96-21-35(2)66(102)94-75(96)105)23-122-137(106,142)132-37-19-43(126-36(37)3)97-30-87-44-59(77)81-27-84-62(44)97/h20-21,27-33,36-43,48-58,68-72,101H,9-19,22-26,76H2,1-8H3,(H,91,104)(H,106,142)(H,107,143)(H,108,144)(H,109,145)(H,110,146)(H2,77,81,84)(H2,78,82,85)(H2,79,83,86)(H,94,102,105)(H3,80,92,93,103)/p-5/t36-,37-,38-,39-,40-,41-,42-,43-,48+,49+,50+,51+,52+,53?,54?,55?,56?,57?,58?,68-,69-,70-,71-,72-,137?,138?,139?,140?,141?/m1/s1
InChIKeyADXQLCVSMJGSGS-ZOBBILRFSA-I
XLogP-3.82
TPSA781.19 Ų
H-Bond Donors9
H-Bond Acceptors62
Rotatable Bonds51
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002245.99
LogP ≤ 5-3.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 162454013) is 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is COCCOC1[C@@H](OP([O-])(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(OCCOC)[C@H]2O)[C@@H](COP([O-])(=S)O[C@@H]2C(OCCOC)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP([O-])(=S)O[C@@H]2C(OCCOC)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)([S-])O[C@@H]2C(OCCOC)[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP([O-])(=S)O[C@@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C)O[C@H]1N1C=C(C)C(N)NC1=O.
What is the InChIKey of 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is ADXQLCVSMJGSGS-ZOBBILRFSA-I. The full InChI is InChI=1S/C75H108N25O36P5S5/c1-34-20-95(74(104)91-58(34)76)69-54(117-15-10-112-5)50(133-138(107,143)121-22-38-48(101)53(116-14-9-111-4)68(127-38)98-31-88-45-60(78)82-28-85-63(45)98)40(128-69)24-123-140(109,145)136-52-42(131-72(57(52)120-18-13-115-8)100-33-90-47-65(100)92-73(80)93-67(47)103)26-125-141(110,146)135-51-41(130-71(56(51)119-17-12-114-7)99-32-89-46-61(79)83-29-86-64(46)99)25-124-139(108,144)134-49-39(129-70(55(49)118-16-11-113-6)96-21-35(2)66(102)94-75(96)105)23-122-137(106,142)132-37-19-43(126-36(37)3)97-30-87-44-59(77)81-27-84-62(44)97/h20-21,27-33,36-43,48-58,68-72,101H,9-19,22-26,76H2,1-8H3,(H,91,104)(H,106,142)(H,107,143)(H,108,144)(H,109,145)(H,110,146)(H2,77,81,84)(H2,78,82,85)(H2,79,83,86)(H,94,102,105)(H3,80,92,93,103)/p-5/t36-,37-,38-,39-,40-,41-,42-,43-,48+,49+,50+,51+,52+,53?,54?,55?,56?,57?,58?,68-,69-,70-,71-,72-,137?,138?,139?,140?,141?/m1/s1.
What are the key properties of 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 2245.99 g/mol, XLogP of -3.82, 51 rotatable bonds, 9 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-amino-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfidophosphoryl]oxy-5-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 162454013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).