2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one

C72H93N25O34P7S7-7 — CID 177065714

IUPAC2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one
SMILESCC[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@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP([O-])(=S)OC[C@H]1O[C@@H](N2C=C(C)C(=O)NC2)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](N2C=C(C)C(=O)NC2)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
InChIInChI=1S/C72H100N25O34P7S7/c1-7-35-36(10-51(118-35)93-17-31(2)59(73)85-71(93)102)126-133(105,140)114-22-46-40(11-52(121-46)94-18-32(3)60(74)86-72(94)103)129-138(110,145)117-23-47-41(13-53(122-47)95-28-80-56-61(75)78-25-79-62(56)95)130-136(108,143)112-19-43-38(9-50(119-43)92-16-34(5)66(99)84-27-92)128-135(107,142)116-24-48-42(14-55(124-48)97-30-82-58-64(97)88-70(77)90-68(58)101)131-137(109,144)113-20-44-37(8-49(120-44)91-15-33(4)65(98)83-26-91)127-134(106,141)115-21-45-39(125-132(104,139)111-6)12-54(123-45)96-29-81-57-63(96)87-69(76)89-67(57)100/h15-18,25,28-30,35-55H,7-14,19-24,26-27H2,1-6H3,(H,83,98)(H,84,99)(H,104,139)(H,105,140)(H,106,141)(H,107,142)(H,108,143)(H,109,144)(H,110,145)(H2,73,85,102)(H2,74,86,103)(H2,75,78,79)(H3,76,87,89,100)(H3,77,88,90,101)/p-7/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,132?,133?,134?,135?,136?,137?,138?/m1/s1
InChIKeyURUJIVMLMRYLGA-DQGOHFHGSA-G
MW2293.96 g/mol
LogP-2.60
Rot. Bonds41

About 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one

2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one (PubChem CID 177065714) has the molecular formula C72H93N25O34P7S7-7 and a molecular weight of 2293.96 g/mol. Its IUPAC name is 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one
PubChem CID177065714
Molecular FormulaC72H93N25O34P7S7-7
Molecular Weight2293.96 g/mol
Exact Mass2292.26
IUPAC Name2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one
SMILESCC[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@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP([O-])(=S)OC[C@H]1O[C@@H](N2C=C(C)C(=O)NC2)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](N2C=C(C)C(=O)NC2)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
InChIInChI=1S/C72H100N25O34P7S7/c1-7-35-36(10-51(118-35)93-17-31(2)59(73)85-71(93)102)126-133(105,140)114-22-46-40(11-52(121-46)94-18-32(3)60(74)86-72(94)103)129-138(110,145)117-23-47-41(13-53(122-47)95-28-80-56-61(75)78-25-79-62(56)95)130-136(108,143)112-19-43-38(9-50(119-43)92-16-34(5)66(99)84-27-92)128-135(107,142)116-24-48-42(14-55(124-48)97-30-82-58-64(97)88-70(77)90-68(58)101)131-137(109,144)113-20-44-37(8-49(120-44)91-15-33(4)65(98)83-26-91)127-134(106,141)115-21-45-39(125-132(104,139)111-6)12-54(123-45)96-29-81-57-63(96)87-69(76)89-67(57)100/h15-18,25,28-30,35-55H,7-14,19-24,26-27H2,1-6H3,(H,83,98)(H,84,99)(H,104,139)(H,105,140)(H,106,141)(H,107,142)(H,108,143)(H,109,144)(H,110,145)(H2,73,85,102)(H2,74,86,103)(H2,75,78,79)(H3,76,87,89,100)(H3,77,88,90,101)/p-7/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,132?,133?,134?,135?,136?,137?,138?/m1/s1
InChIKeyURUJIVMLMRYLGA-DQGOHFHGSA-G
XLogP-2.60
TPSA784.56 Ų
H-Bond Donors9
H-Bond Acceptors62
Rotatable Bonds41
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002293.96
LogP ≤ 5-2.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

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

Analyze 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one (CID 177065714) is 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one is 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@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP([O-])(=S)OC[C@H]1O[C@@H](N2C=C(C)C(=O)NC2)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](N2C=C(C)C(=O)NC2)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.
What is the InChIKey of 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one?
The InChIKey is URUJIVMLMRYLGA-DQGOHFHGSA-G. The full InChI is InChI=1S/C72H100N25O34P7S7/c1-7-35-36(10-51(118-35)93-17-31(2)59(73)85-71(93)102)126-133(105,140)114-22-46-40(11-52(121-46)94-18-32(3)60(74)86-72(94)103)129-138(110,145)117-23-47-41(13-53(122-47)95-28-80-56-61(75)78-25-79-62(56)95)130-136(108,143)112-19-43-38(9-50(119-43)92-16-34(5)66(99)84-27-92)128-135(107,142)116-24-48-42(14-55(124-48)97-30-82-58-64(97)88-70(77)90-68(58)101)131-137(109,144)113-20-44-37(8-49(120-44)91-15-33(4)65(98)83-26-91)127-134(106,141)115-21-45-39(125-132(104,139)111-6)12-54(123-45)96-29-81-57-63(96)87-69(76)89-67(57)100/h15-18,25,28-30,35-55H,7-14,19-24,26-27H2,1-6H3,(H,83,98)(H,84,99)(H,104,139)(H,105,140)(H,106,141)(H,107,142)(H,108,143)(H,109,144)(H,110,145)(H2,73,85,102)(H2,74,86,103)(H2,75,78,79)(H3,76,87,89,100)(H3,77,88,90,101)/p-7/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,132?,133?,134?,135?,136?,137?,138?/m1/s1.
What are the key properties of 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one?
2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one has a molecular weight of 2293.96 g/mol, XLogP of -2.60, 41 rotatable bonds, 9 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[methoxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 177065714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).