argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane

C81H143ArN10O27SSi6- — CID 158133849

IUPACargon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane
SMILESC.CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(OS(=O)[O-])nc2=O)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.C[C@H](Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1)c1ccccc1[N+](=O)[O-].O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]1.[Ar]
InChIInChI=1S/C27H54N2O8SSi3.C27H54N2O6Si3.C17H20N4O7.C9H12N2O6.CH4.Ar/c1-25(2,3)39(10,11)33-18-19-21(36-40(12,13)26(4,5)6)22(37-41(14,15)27(7,8)9)23(34-19)29-17-16-20(28-24(29)30)35-38(31)32;1-25(2,3)36(10,11)32-18-19-21(34-37(12,13)26(4,5)6)22(35-38(14,15)27(7,8)9)23(33-19)29-17-16-20(30)28-24(29)31;1-9(10-4-2-3-5-11(10)21(26)27)18-13-6-7-20(17(25)19-13)16-15(24)14(23)12(8-22)28-16;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;/h16-17,19,21-23H,18H2,1-15H3,(H,31,32);16-17,19,21-23H,18H2,1-15H3,(H,28,30,31);2-7,9,12,14-16,22-24H,8H2,1H3,(H,18,19,25);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);1H4;/p-1/t2*19-,21+,22?,23-;9-,12+,14-,15?,16+;4-,6+,7?,8-;;/m1101../s1
InChIKeySSOHUNWVFDKUDV-BCWMVAGMSA-M
MW1929.61 g/mol
LogP10.07
Rot. Bonds26

About argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane

argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane (PubChem CID 158133849) has the molecular formula C81H143ArN10O27SSi6- and a molecular weight of 1929.61 g/mol. Its IUPAC name is argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane.

Molecular Properties

Compound Nameargon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane
PubChem CID158133849
Molecular FormulaC81H143ArN10O27SSi6-
Molecular Weight1929.61 g/mol
Exact Mass1927.81
IUPAC Nameargon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane
SMILESC.CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(OS(=O)[O-])nc2=O)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.C[C@H](Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1)c1ccccc1[N+](=O)[O-].O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]1.[Ar]
InChIInChI=1S/C27H54N2O8SSi3.C27H54N2O6Si3.C17H20N4O7.C9H12N2O6.CH4.Ar/c1-25(2,3)39(10,11)33-18-19-21(36-40(12,13)26(4,5)6)22(37-41(14,15)27(7,8)9)23(34-19)29-17-16-20(28-24(29)30)35-38(31)32;1-25(2,3)36(10,11)32-18-19-21(34-37(12,13)26(4,5)6)22(35-38(14,15)27(7,8)9)23(33-19)29-17-16-20(30)28-24(29)31;1-9(10-4-2-3-5-11(10)21(26)27)18-13-6-7-20(17(25)19-13)16-15(24)14(23)12(8-22)28-16;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;/h16-17,19,21-23H,18H2,1-15H3,(H,31,32);16-17,19,21-23H,18H2,1-15H3,(H,28,30,31);2-7,9,12,14-16,22-24H,8H2,1H3,(H,18,19,25);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);1H4;/p-1/t2*19-,21+,22?,23-;9-,12+,14-,15?,16+;4-,6+,7?,8-;;/m1101../s1
InChIKeySSOHUNWVFDKUDV-BCWMVAGMSA-M
XLogP10.07
TPSA497.71 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms126
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.61
LogP ≤ 510.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane?
The IUPAC name of argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane (CID 158133849) is argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane.
What is the SMILES notation for argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane?
The canonical SMILES for argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane is C.CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(OS(=O)[O-])nc2=O)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.C[C@H](Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1)c1ccccc1[N+](=O)[O-].O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]1.[Ar].
What is the InChIKey of argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane?
The InChIKey is SSOHUNWVFDKUDV-BCWMVAGMSA-M. The full InChI is InChI=1S/C27H54N2O8SSi3.C27H54N2O6Si3.C17H20N4O7.C9H12N2O6.CH4.Ar/c1-25(2,3)39(10,11)33-18-19-21(36-40(12,13)26(4,5)6)22(37-41(14,15)27(7,8)9)23(34-19)29-17-16-20(28-24(29)30)35-38(31)32;1-25(2,3)36(10,11)32-18-19-21(34-37(12,13)26(4,5)6)22(35-38(14,15)27(7,8)9)23(33-19)29-17-16-20(30)28-24(29)31;1-9(10-4-2-3-5-11(10)21(26)27)18-13-6-7-20(17(25)19-13)16-15(24)14(23)12(8-22)28-16;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;/h16-17,19,21-23H,18H2,1-15H3,(H,31,32);16-17,19,21-23H,18H2,1-15H3,(H,28,30,31);2-7,9,12,14-16,22-24H,8H2,1H3,(H,18,19,25);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);1H4;/p-1/t2*19-,21+,22?,23-;9-,12+,14-,15?,16+;4-,6+,7?,8-;;/m1101../s1.
What are the key properties of argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane?
argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane has a molecular weight of 1929.61 g/mol, XLogP of 10.07, 26 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for argon;[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl] sulfite;1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(1S)-1-(2-nitrophenyl)ethyl]amino]pyrimidin-2-one;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane is sourced from PubChem (CID 158133849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).