(2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile

C50H50F3N17O13S4 — CID 159016319

About (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile

(2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile (PubChem CID 159016319) has the molecular formula C50H50F3N17O13S4 and a molecular weight of 1282.32 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile.

Molecular Properties

• Compound Name: (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile
• PubChem CID: 159016319
• Molecular Formula: C50H50F3N17O13S4
• Molecular Weight: 1282.32 g/mol
• Exact Mass: 1281.26
• IUPAC Name: (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile
• SMILES: Cc1nc(N)c2scc([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]3F)c2n1.Cc1ncnc2c([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]3F)csc12.Cc1ncnc2c([C@@H]3O[C@](C#N)(CO)[C@@H](O)[C@H]3F)csc12.N#C[C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C13H12FN3O3S.C13H13N3O4S.C12H13FN6O3S.C12H12FN5O3S/c1-6-11-9(17-5-16-6)7(2-21-11)10-8(14)12(19)13(3-15,4-18)20-10;14-4-13(5-17)12(19)9(18)10(20-13)6-3-21-11-7(15)1-2-16-8(6)11;1-4-16-7-5(2-23-9(7)11(14)17-4)8-6(13)10(21)12(3-20,22-8)18-19-15;1-5-10-8(16-4-15-5)6(2-22-10)9-7(13)11(20)12(3-19,21-9)17-18-14/h2,5,8,10,12,18-19H,4H2,1H3;1-3,9-10,12,17-19H,5H2,(H2,15,16);2,6,8,10,20-21H,3H2,1H3,(H2,14,16,17);2,4,7,9,11,19-20H,3H2,1H3/t8-,10-,12-,13+;9-,10-,12-,13+;6-,8-,10-,12+;7-,9-,11-,12+/m0000/s1
• InChIKey: JTDDCUTVNJFBDQ-WZOFCQABSA-N
• XLogP: 4.07
• TPSA: 506.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.32
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile?

The IUPAC name of (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile (CID 159016319) is (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile.

What is the SMILES notation for (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile?

The canonical SMILES for (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile is Cc1nc(N)c2scc([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]3F)c2n1.Cc1ncnc2c([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]3F)csc12.Cc1ncnc2c([C@@H]3O[C@](C#N)(CO)[C@@H](O)[C@H]3F)csc12.N#C[C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile?

The InChIKey is JTDDCUTVNJFBDQ-WZOFCQABSA-N. The full InChI is InChI=1S/C13H12FN3O3S.C13H13N3O4S.C12H13FN6O3S.C12H12FN5O3S/c1-6-11-9(17-5-16-6)7(2-21-11)10-8(14)12(19)13(3-15,4-18)20-10;14-4-13(5-17)12(19)9(18)10(20-13)6-3-21-11-7(15)1-2-16-8(6)11;1-4-16-7-5(2-23-9(7)11(14)17-4)8-6(13)10(21)12(3-20,22-8)18-19-15;1-5-10-8(16-4-15-5)6(2-22-10)9-7(13)11(20)12(3-19,21-9)17-18-14/h2,5,8,10,12,18-19H,4H2,1H3;1-3,9-10,12,17-19H,5H2,(H2,15,16);2,6,8,10,20-21H,3H2,1H3,(H2,14,16,17);2,4,7,9,11,19-20H,3H2,1H3/t8-,10-,12-,13+;9-,10-,12-,13+;6-,8-,10-,12+;7-,9-,11-,12+/m0000/s1.

What are the key properties of (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile?

(2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile has a molecular weight of 1282.32 g/mol, XLogP of 4.07, 10 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S)-5-(4-amino-2-methylthieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolane-2-carbonitrile is sourced from PubChem (CID 159016319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).