(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane

C35H54FN13O11 — CID 160989924

About (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane

(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane (PubChem CID 160989924) has the molecular formula C35H54FN13O11 and a molecular weight of 851.89 g/mol. Its IUPAC name is (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane.

Molecular Properties

• Compound Name: (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane
• PubChem CID: 160989924
• Molecular Formula: C35H54FN13O11
• Molecular Weight: 851.89 g/mol
• Exact Mass: 851.40
• IUPAC Name: (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane
• SMILES: C.C.C=C1N=C(N)C=CN1[C@@H]1O[C@@](CO)(N=[N+]=[N-])C(O)[C@@H]1O.C=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)C(O)[C@]1(C)F.C[C@]1(O)C(O)[C@@H](CO)O[C@H]1n1ccc2c(N)ncnc21
• InChI: InChI=1S/C12H16N4O4.C11H16FN3O3.C10H14N6O4.2CH4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16;1-6-14-8(13)3-4-15(6)10-11(2,12)9(17)7(5-16)18-10;1-5-13-6(11)2-3-16(5)9-7(18)8(19)10(4-17,20-9)14-15-12;;/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15);3-4,7,9-10,16-17H,1,5H2,2H3,(H2,13,14);2-3,7-9,17-19H,1,4H2,(H2,11,13);2*1H4/t7-,8?,11-,12+;7-,9?,10-,11+;7-,8?,9+,10+;;/m110../s1
• InChIKey: TUMFJQVHACKVCH-NGFCONSGSA-N
• XLogP: -1.54
• TPSA: 378.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.89
LogP ≤ 5	-1.54
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

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,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane?

The IUPAC name of (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane (CID 160989924) is (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane.

What is the SMILES notation for (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane?

The canonical SMILES for (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane is C.C.C=C1N=C(N)C=CN1[C@@H]1O[C@@](CO)(N=[N+]=[N-])C(O)[C@@H]1O.C=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)C(O)[C@]1(C)F.C[C@]1(O)C(O)[C@@H](CO)O[C@H]1n1ccc2c(N)ncnc21.

What is the InChIKey of (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane?

The InChIKey is TUMFJQVHACKVCH-NGFCONSGSA-N. The full InChI is InChI=1S/C12H16N4O4.C11H16FN3O3.C10H14N6O4.2CH4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16;1-6-14-8(13)3-4-15(6)10-11(2,12)9(17)7(5-16)18-10;1-5-13-6(11)2-3-16(5)9-7(18)8(19)10(4-17,20-9)14-15-12;;/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15);3-4,7,9-10,16-17H,1,5H2,2H3,(H2,13,14);2-3,7-9,17-19H,1,4H2,(H2,11,13);2*1H4/t7-,8?,11-,12+;7-,9?,10-,11+;7-,8?,9+,10+;;/m110../s1.

What are the key properties of (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane?

(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane has a molecular weight of 851.89 g/mol, XLogP of -1.54, 7 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol;(2R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;(2R,3S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane is sourced from PubChem (CID 160989924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).