[[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

C50H61ClF2N16O49P12S4 — CID 160616378

IUPAC[[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESCc1ncnc2c([C@@H]3O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(N=[N+]=[N-])[C@@H](O)[C@H]3Cl)csc12.Cc1ncnc2c([C@@H]3O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(N=[N+]=[N-])[C@@H](O)[C@H]3F)csc12.[C-]#[N+][C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2csc3c(C)ncnc23)[C@H](F)[C@@H]1O.[C-]#[N+][C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2csc3c(C)ncnc23)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H15FN3O12P3S.C13H16N3O13P3S.C12H15ClN5O12P3S.C12H15FN5O12P3S/c1-6-11-9(17-5-16-6)7(3-33-11)10-8(14)12(18)13(15-2,27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21;1-6-11-8(16-5-15-6)7(3-33-11)10-9(17)12(18)13(14-2,27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21;2*1-5-10-8(16-4-15-5)6(2-34-10)9-7(13)11(19)12(28-9,17-18-14)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h3,5,8,10,12,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21);3,5,9-10,12,17-18H,4H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21);2*2,4,7,9,11,19H,3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t8-,10-,12-,13+;9-,10-,12-,13+;2*7-,9-,11-,12+/m0000/s1
InChIKeyRGDLKPOKDQLTDV-SEXLLVJNSA-N
MW2243.51 g/mol
LogP6.99
Rot. Bonds34

About [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

[[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (PubChem CID 160616378) has the molecular formula C50H61ClF2N16O49P12S4 and a molecular weight of 2243.51 g/mol. Its IUPAC name is [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
PubChem CID160616378
Molecular FormulaC50H61ClF2N16O49P12S4
Molecular Weight2243.51 g/mol
Exact Mass2241.82
IUPAC Name[[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESCc1ncnc2c([C@@H]3O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(N=[N+]=[N-])[C@@H](O)[C@H]3Cl)csc12.Cc1ncnc2c([C@@H]3O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(N=[N+]=[N-])[C@@H](O)[C@H]3F)csc12.[C-]#[N+][C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2csc3c(C)ncnc23)[C@H](F)[C@@H]1O.[C-]#[N+][C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2csc3c(C)ncnc23)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H15FN3O12P3S.C13H16N3O13P3S.C12H15ClN5O12P3S.C12H15FN5O12P3S/c1-6-11-9(17-5-16-6)7(3-33-11)10-8(14)12(18)13(15-2,27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21;1-6-11-8(16-5-15-6)7(3-33-11)10-9(17)12(18)13(14-2,27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21;2*1-5-10-8(16-4-15-5)6(2-34-10)9-7(13)11(19)12(28-9,17-18-14)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h3,5,8,10,12,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21);3,5,9-10,12,17-18H,4H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21);2*2,4,7,9,11,19H,3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t8-,10-,12-,13+;9-,10-,12-,13+;2*7-,9-,11-,12+/m0000/s1
InChIKeyRGDLKPOKDQLTDV-SEXLLVJNSA-N
XLogP6.99
TPSA986.71 Ų
H-Bond Donors21
H-Bond Acceptors47
Rotatable Bonds34
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.51
LogP ≤ 56.99
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1047

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'}

Analyze [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate with MolForge

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Related Compounds

[[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 118683809
(2R,3R,4R,5S)-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4R,5S)-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tritiophosphane
CID 157098350
(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
(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
(2R,3R,4R,5S)-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4R,5S)-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-2-azido-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methane;tritiophosphane
CID 159667003
(2R,3R,4R,5S)-5-(4-amino-2-fluorothieno[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 160379787
(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-(chloromethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-azido-2-ethyl-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-(chloromethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;methane
CID 161765570

Frequently Asked Questions

What is the IUPAC name of [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The IUPAC name of [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CID 160616378) is [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is Cc1ncnc2c([C@@H]3O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(N=[N+]=[N-])[C@@H](O)[C@H]3Cl)csc12.Cc1ncnc2c([C@@H]3O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(N=[N+]=[N-])[C@@H](O)[C@H]3F)csc12.[C-]#[N+][C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2csc3c(C)ncnc23)[C@H](F)[C@@H]1O.[C-]#[N+][C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2csc3c(C)ncnc23)[C@H](O)[C@@H]1O.
What is the InChIKey of [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The InChIKey is RGDLKPOKDQLTDV-SEXLLVJNSA-N. The full InChI is InChI=1S/C13H15FN3O12P3S.C13H16N3O13P3S.C12H15ClN5O12P3S.C12H15FN5O12P3S/c1-6-11-9(17-5-16-6)7(3-33-11)10-8(14)12(18)13(15-2,27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21;1-6-11-8(16-5-15-6)7(3-33-11)10-9(17)12(18)13(14-2,27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21;2*1-5-10-8(16-4-15-5)6(2-34-10)9-7(13)11(19)12(28-9,17-18-14)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h3,5,8,10,12,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21);3,5,9-10,12,17-18H,4H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21);2*2,4,7,9,11,19H,3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t8-,10-,12-,13+;9-,10-,12-,13+;2*7-,9-,11-,12+/m0000/s1.
What are the key properties of [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
[[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate has a molecular weight of 2243.51 g/mol, XLogP of 6.99, 34 rotatable bonds, 21 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,3R,4R,5S)-2-azido-4-chloro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-2-azido-4-fluoro-3-hydroxy-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5S)-3,4-dihydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5S)-4-fluoro-3-hydroxy-2-isocyano-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 160616378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).