hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide

C148H187ClF3N21Na6O40P6S3Si4 — CID 159684881

IUPAChexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide
SMILESCC[C@@]1(COS(C)(=O)=O)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OC(C)=O)[C@@H]1O[PH-].CC[C@@]1(COS(C)(=O)=O)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OS(=O)(=O)C(F)(F)F)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(OC(C)=O)[C@H](OC(C)=O)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OC(C)=O)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1O[PH-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C31H38N4O6PSi.C30H36ClN5O5PSi.C29H36N4O5PSi.C27H36O7PSi.C16H22N4O8PS.C15H19F3N4O9PS2.6Na/c1-7-31(18-38-43(30(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23)26(41-42)25(39-21(3)36)29(40-31)35-19-32-24-27(35)33-20(2)34-28(24)37;1-6-30(17-38-43(29(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21)24(41-42)23(39-19(2)37)27(40-30)36-18-33-22-25(31)34-28(32)35-26(22)36;1-6-29(17-36-40(28(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21)24(38-39)23(34)27(37-29)33-18-30-22-25(33)31-19(2)32-26(22)35;1-7-27(24(34-35)23(31-19(2)28)25(33-27)32-20(3)29)18-30-36(26(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22;1-5-16(6-25-30(4,23)24)12(28-29)11(26-9(3)21)15(27-16)20-7-17-10-13(20)18-8(2)19-14(10)22;1-4-14(5-28-33(3,24)25)10(30-32)9(31-34(26,27)15(16,17)18)13(29-14)22-6-19-8-11(22)20-7(2)21-12(8)23;;;;;;/h8-17,19,25-26,29,42H,7,18H2,1-6H3,(H,33,34,37);7-16,18,23-24,27,42H,6,17H2,1-5H3,(H2,32,34,35);7-16,18,23-24,27,34,39H,6,17H2,1-5H3,(H,31,32,35);8-17,23-25,35H,7,18H2,1-6H3;7,11-12,15,29H,5-6H2,1-4H3,(H,18,19,22);6,9-10,13,32H,4-5H2,1-3H3,(H,20,21,23);;;;;;/q6*-1;6*+1/t25-,26-,29+,31-;23-,24+,27-,30+;23-,24+,27-,29+;23-,24+,25?,27+;11-,12-,15+,16-;9-,10-,13+,14-;;;;;;/m011100....../s1
InChIKeyMVQWJYHLPBHLLN-AOIKIISLSA-N
MW3525.01 g/mol
LogP-0.52
Rot. Bonds50

About hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide

hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide (PubChem CID 159684881) has the molecular formula C148H187ClF3N21Na6O40P6S3Si4 and a molecular weight of 3525.01 g/mol. Its IUPAC name is hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide.

Molecular Properties

Compound Namehexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide
PubChem CID159684881
Molecular FormulaC148H187ClF3N21Na6O40P6S3Si4
Molecular Weight3525.01 g/mol
Exact Mass3521.89
IUPAC Namehexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide
SMILESCC[C@@]1(COS(C)(=O)=O)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OC(C)=O)[C@@H]1O[PH-].CC[C@@]1(COS(C)(=O)=O)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OS(=O)(=O)C(F)(F)F)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(OC(C)=O)[C@H](OC(C)=O)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OC(C)=O)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1O[PH-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C31H38N4O6PSi.C30H36ClN5O5PSi.C29H36N4O5PSi.C27H36O7PSi.C16H22N4O8PS.C15H19F3N4O9PS2.6Na/c1-7-31(18-38-43(30(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23)26(41-42)25(39-21(3)36)29(40-31)35-19-32-24-27(35)33-20(2)34-28(24)37;1-6-30(17-38-43(29(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21)24(41-42)23(39-19(2)37)27(40-30)36-18-33-22-25(31)34-28(32)35-26(22)36;1-6-29(17-36-40(28(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21)24(38-39)23(34)27(37-29)33-18-30-22-25(33)31-19(2)32-26(22)35;1-7-27(24(34-35)23(31-19(2)28)25(33-27)32-20(3)29)18-30-36(26(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22;1-5-16(6-25-30(4,23)24)12(28-29)11(26-9(3)21)15(27-16)20-7-17-10-13(20)18-8(2)19-14(10)22;1-4-14(5-28-33(3,24)25)10(30-32)9(31-34(26,27)15(16,17)18)13(29-14)22-6-19-8-11(22)20-7(2)21-12(8)23;;;;;;/h8-17,19,25-26,29,42H,7,18H2,1-6H3,(H,33,34,37);7-16,18,23-24,27,42H,6,17H2,1-5H3,(H2,32,34,35);7-16,18,23-24,27,34,39H,6,17H2,1-5H3,(H,31,32,35);8-17,23-25,35H,7,18H2,1-6H3;7,11-12,15,29H,5-6H2,1-4H3,(H,18,19,22);6,9-10,13,32H,4-5H2,1-3H3,(H,20,21,23);;;;;;/q6*-1;6*+1/t25-,26-,29+,31-;23-,24+,27-,30+;23-,24+,27-,29+;23-,24+,25?,27+;11-,12-,15+,16-;9-,10-,13+,14-;;;;;;/m011100....../s1
InChIKeyMVQWJYHLPBHLLN-AOIKIISLSA-N
XLogP-0.52
TPSA753.42 Ų
H-Bond Donors6
H-Bond Acceptors57
Rotatable Bonds50
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003525.01
LogP ≤ 5-0.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1057

Analyze hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide?
The IUPAC name of hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide (CID 159684881) is hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide.
What is the SMILES notation for hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide?
The canonical SMILES for hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide is CC[C@@]1(COS(C)(=O)=O)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OC(C)=O)[C@@H]1O[PH-].CC[C@@]1(COS(C)(=O)=O)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OS(=O)(=O)C(F)(F)F)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(OC(C)=O)[C@H](OC(C)=O)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](OC(C)=O)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O[PH-].CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1O[PH-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide?
The InChIKey is MVQWJYHLPBHLLN-AOIKIISLSA-N. The full InChI is InChI=1S/C31H38N4O6PSi.C30H36ClN5O5PSi.C29H36N4O5PSi.C27H36O7PSi.C16H22N4O8PS.C15H19F3N4O9PS2.6Na/c1-7-31(18-38-43(30(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23)26(41-42)25(39-21(3)36)29(40-31)35-19-32-24-27(35)33-20(2)34-28(24)37;1-6-30(17-38-43(29(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21)24(41-42)23(39-19(2)37)27(40-30)36-18-33-22-25(31)34-28(32)35-26(22)36;1-6-29(17-36-40(28(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21)24(38-39)23(34)27(37-29)33-18-30-22-25(33)31-19(2)32-26(22)35;1-7-27(24(34-35)23(31-19(2)28)25(33-27)32-20(3)29)18-30-36(26(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22;1-5-16(6-25-30(4,23)24)12(28-29)11(26-9(3)21)15(27-16)20-7-17-10-13(20)18-8(2)19-14(10)22;1-4-14(5-28-33(3,24)25)10(30-32)9(31-34(26,27)15(16,17)18)13(29-14)22-6-19-8-11(22)20-7(2)21-12(8)23;;;;;;/h8-17,19,25-26,29,42H,7,18H2,1-6H3,(H,33,34,37);7-16,18,23-24,27,42H,6,17H2,1-5H3,(H2,32,34,35);7-16,18,23-24,27,34,39H,6,17H2,1-5H3,(H,31,32,35);8-17,23-25,35H,7,18H2,1-6H3;7,11-12,15,29H,5-6H2,1-4H3,(H,18,19,22);6,9-10,13,32H,4-5H2,1-3H3,(H,20,21,23);;;;;;/q6*-1;6*+1/t25-,26-,29+,31-;23-,24+,27-,30+;23-,24+,27-,29+;23-,24+,25?,27+;11-,12-,15+,16-;9-,10-,13+,14-;;;;;;/m011100....../s1.
What are the key properties of hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide?
hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide has a molecular weight of 3525.01 g/mol, XLogP of -0.52, 50 rotatable bonds, 6 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;[(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-4-acetyloxy-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyl-4-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphanide;[(2S,3S,4R)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethyloxolan-3-yl]oxyphosphanide;[(2S,3S,4S,5R)-2-ethyl-5-(2-methyl-6-oxo-1H-purin-9-yl)-2-(methylsulfonyloxymethyl)-4-(trifluoromethylsulfonyloxy)oxolan-3-yl]oxyphosphanide is sourced from PubChem (CID 159684881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).