(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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C77H83Cl2F2N29O18S6 — CID 157447118

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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 157447118) has the molecular formula C77H83Cl2F2N29O18S6 and a molecular weight of 2004.00 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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
• PubChem CID: 157447118
• Molecular Formula: C77H83Cl2F2N29O18S6
• Molecular Weight: 2004.00 g/mol
• Exact Mass: 2001.41
• 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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
• SMILES: CC[C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)[C@H](Cl)[C@@H]1O.CC[C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)[C@H](F)[C@@H]1O.Cc1nc(N)c2scc([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]3F)c2n1.[C-]#[N+][C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)C(N=[N+]=[N-])[C@@H]1O.[N-]=[N+]=NC1[C@H](c2csc3c(N)ccnc23)O[C@@](CO)(N=[N+]=[N-])[C@H]1O.[N-]=[N+]=N[C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)[C@H](Cl)[C@@H]1O
• InChI: InChI=1S/C14H17ClN2O3S.C14H17FN2O3S.C13H12N6O3S.C12H12ClN5O3S.C12H13FN6O3S.C12H12N8O3S/c2*1-2-14(6-18)13(19)9(15)11(20-14)7-5-21-12-8(16)3-4-17-10(7)12;1-16-13(5-20)12(21)9(18-19-15)10(22-13)6-4-23-11-7(14)2-3-17-8(6)11;13-7-9(21-12(4-19,11(7)20)17-18-15)5-3-22-10-6(14)1-2-16-8(5)10;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;13-6-1-2-16-7-5(3-24-10(6)7)9-8(17-19-14)11(22)12(4-21,23-9)18-20-15/h2*3-5,9,11,13,18-19H,2,6H2,1H3,(H2,16,17);2-4,9-10,12,20-21H,5H2,(H2,14,17);1-3,7,9,11,19-20H,4H2,(H2,14,16);2,6,8,10,20-21H,3H2,1H3,(H2,14,16,17);1-3,8-9,11,21-22H,4H2,(H2,13,16)/t2*9-,11-,13-,14+;9?,10-,12-,13+;7-,9-,11-,12+;6-,8-,10-,12+;8?,9-,11-,12+/m000000/s1
• InChIKey: BSIUZHGHGQTGED-YJDZHZJESA-N
• XLogP: 10.70
• TPSA: 792.65 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 42
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2004.00
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?

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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 157447118) 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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?

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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is CC[C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)[C@H](Cl)[C@@H]1O.CC[C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)[C@H](F)[C@@H]1O.Cc1nc(N)c2scc([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]3F)c2n1.[C-]#[N+][C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)C(N=[N+]=[N-])[C@@H]1O.[N-]=[N+]=NC1[C@H](c2csc3c(N)ccnc23)O[C@@](CO)(N=[N+]=[N-])[C@H]1O.[N-]=[N+]=N[C@]1(CO)O[C@@H](c2csc3c(N)ccnc23)[C@H](Cl)[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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?

The InChIKey is BSIUZHGHGQTGED-YJDZHZJESA-N. The full InChI is InChI=1S/C14H17ClN2O3S.C14H17FN2O3S.C13H12N6O3S.C12H12ClN5O3S.C12H13FN6O3S.C12H12N8O3S/c2*1-2-14(6-18)13(19)9(15)11(20-14)7-5-21-12-8(16)3-4-17-10(7)12;1-16-13(5-20)12(21)9(18-19-15)10(22-13)6-4-23-11-7(14)2-3-17-8(6)11;13-7-9(21-12(4-19,11(7)20)17-18-15)5-3-22-10-6(14)1-2-16-8(5)10;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;13-6-1-2-16-7-5(3-24-10(6)7)9-8(17-19-14)11(22)12(4-21,23-9)18-20-15/h2*3-5,9,11,13,18-19H,2,6H2,1H3,(H2,16,17);2-4,9-10,12,20-21H,5H2,(H2,14,17);1-3,7,9,11,19-20H,4H2,(H2,14,16);2,6,8,10,20-21H,3H2,1H3,(H2,14,16,17);1-3,8-9,11,21-22H,4H2,(H2,13,16)/t2*9-,11-,13-,14+;9?,10-,12-,13+;7-,9-,11-,12+;6-,8-,10-,12+;8?,9-,11-,12+/m000000/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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?

(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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 2004.00 g/mol, XLogP of 10.70, 19 rotatable bonds, 18 hydrogen bond donors, and 42 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,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-azido-4-chloro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(hydroxymethyl)-2-isocyanooxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 157447118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).