[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten

C41H58N11O16P2S2W- — CID 176553666

About [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten

[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten (PubChem CID 176553666) has the molecular formula C41H58N11O16P2S2W- and a molecular weight of 1270.90 g/mol. Its IUPAC name is [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten.

Molecular Properties

• Compound Name: [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten
• PubChem CID: 176553666
• Molecular Formula: C41H58N11O16P2S2W-
• Molecular Weight: 1270.90 g/mol
• Exact Mass: 1270.25
• IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten
• SMILES: CCO.CN(C)c1ccc(/C=C2/SC(=S)N(CC([C-]=O)NC(=O)OC(C)(C)C)C2=O)cc1.Nc1ccn(C2CCC(COP(O)O)O2)c(=O)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C[C@H]1O.[W]
• InChI: InChI=1S/C20H24N3O4S2.C10H14N5O6P.C9H14N3O5P.C2H6O.W/c1-20(2,3)27-18(26)21-14(12-24)11-23-17(25)16(29-19(23)28)10-13-6-8-15(9-7-13)22(4)5;11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(21-10)2-20-22(17,18)19;10-7-3-4-12(9(13)11-7)8-2-1-6(17-8)5-16-18(14)15;1-2-3;/h6-10,14H,11H2,1-5H3,(H,21,26);3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19);3-4,6,8,14-15H,1-2,5H2,(H2,10,11,13);3H,2H2,1H3;/q-1;;;;/b16-10+;;;;/t;5?,6-,10?;;;/m.1.../s1
• InChIKey: XNHRUETVTGQOLJ-VMOLOUKFSA-N
• XLogP: 1.85
• TPSA: 384.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.90
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten?

The IUPAC name of [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten (CID 176553666) is [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten.

What is the SMILES notation for [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten?

The canonical SMILES for [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten is CCO.CN(C)c1ccc(/C=C2/SC(=S)N(CC([C-]=O)NC(=O)OC(C)(C)C)C2=O)cc1.Nc1ccn(C2CCC(COP(O)O)O2)c(=O)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C[C@H]1O.[W].

What is the InChIKey of [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten?

The InChIKey is XNHRUETVTGQOLJ-VMOLOUKFSA-N. The full InChI is InChI=1S/C20H24N3O4S2.C10H14N5O6P.C9H14N3O5P.C2H6O.W/c1-20(2,3)27-18(26)21-14(12-24)11-23-17(25)16(29-19(23)28)10-13-6-8-15(9-7-13)22(4)5;11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(21-10)2-20-22(17,18)19;10-7-3-4-12(9(13)11-7)8-2-1-6(17-8)5-16-18(14)15;1-2-3;/h6-10,14H,11H2,1-5H3,(H,21,26);3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19);3-4,6,8,14-15H,1-2,5H2,(H2,10,11,13);3H,2H2,1H3;/q-1;;;;/b16-10+;;;;/t;5?,6-,10?;;;/m.1.../s1.

What are the key properties of [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten?

[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten has a molecular weight of 1270.90 g/mol, XLogP of 1.85, 14 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;tert-butyl N-[1-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-oxopropan-2-yl]carbamate;ethanol;tungsten is sourced from PubChem (CID 176553666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).