(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol

C77H88F6N24O15 — CID 157065245

About (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol

(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol (PubChem CID 157065245) has the molecular formula C77H88F6N24O15 and a molecular weight of 1703.69 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol.

Molecular Properties

• Compound Name: (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol
• PubChem CID: 157065245
• Molecular Formula: C77H88F6N24O15
• Molecular Weight: 1703.69 g/mol
• Exact Mass: 1702.68
• IUPAC Name: (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol
• SMILES: C#C[C@]1(CO)O[C@@H](n2ccc3c(N)nc(F)nc32)C[C@@H]1C.C#C[C@]1(CO)O[C@@H](n2ccc3c(N)nc(F)nc32)C[C@@H]1O.C[C@H]1C[C@H](n2ccc3c(N)nc(F)nc32)OC1(CO)CO.C[C@H]1C[C@H](n2ccc3c(N)nc(F)nc32)O[C@@H]1C=O.C[C@H]1C[C@H](n2ccc3c(N)nc(F)nc32)O[C@@H]1CO.C[C@H]1C[C@H](n2ccc3c(N)nc(F)nc32)O[C@]1(C=O)CO
• InChI: InChI=1S/C14H15FN4O2.C13H17FN4O3.C13H15FN4O3.C13H13FN4O3.C12H15FN4O2.C12H13FN4O2/c1-3-14(7-20)8(2)6-10(21-14)19-5-4-9-11(16)17-13(15)18-12(9)19;2*1-7-4-9(21-13(7,5-19)6-20)18-3-2-8-10(15)16-12(14)17-11(8)18;1-2-13(6-19)8(20)5-9(21-13)18-4-3-7-10(15)16-12(14)17-11(7)18;2*1-6-4-9(19-8(6)5-18)17-3-2-7-10(14)15-12(13)16-11(7)17/h1,4-5,8,10,20H,6-7H2,2H3,(H2,16,17,18);2-3,7,9,19-20H,4-6H2,1H3,(H2,15,16,17);2-3,5,7,9,20H,4,6H2,1H3,(H2,15,16,17);1,3-4,8-9,19-20H,5-6H2,(H2,15,16,17);2-3,6,8-9,18H,4-5H2,1H3,(H2,14,15,16);2-3,5-6,8-9H,4H2,1H3,(H2,14,15,16)/t8-,10+,14+;7-,9+;7-,9+,13+;8-,9+,13+;2*6-,8+,9+/m000000/s1
• InChIKey: ABULGIOUBJIAAQ-IVHDIWTGSA-N
• XLogP: 4.28
• TPSA: 571.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1703.69
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol?

The IUPAC name of (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol (CID 157065245) is (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol.

What is the SMILES notation for (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol?

The canonical SMILES for (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol is C#C[C@]1(CO)O[C@@H](n2ccc3c(N)nc(F)nc32)C[C@@H]1C.C#C[C@]1(CO)O[C@@H](n2ccc3c(N)nc(F)nc32)C[C@@H]1O.C[C@H]1C[C@H](n2ccc3c(N)nc(F)nc32)OC1(CO)CO.C[C@H]1C[C@H](n2ccc3c(N)nc(F)nc32)O[C@@H]1C=O.C[C@H]1C[C@H](n2ccc3c(N)nc(F)nc32)O[C@@H]1CO.C[C@H]1C[C@H](n2ccc3c(N)nc(F)nc32)O[C@]1(C=O)CO.

What is the InChIKey of (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol?

The InChIKey is ABULGIOUBJIAAQ-IVHDIWTGSA-N. The full InChI is InChI=1S/C14H15FN4O2.C13H17FN4O3.C13H15FN4O3.C13H13FN4O3.C12H15FN4O2.C12H13FN4O2/c1-3-14(7-20)8(2)6-10(21-14)19-5-4-9-11(16)17-13(15)18-12(9)19;2*1-7-4-9(21-13(7,5-19)6-20)18-3-2-8-10(15)16-12(14)17-11(8)18;1-2-13(6-19)8(20)5-9(21-13)18-4-3-7-10(15)16-12(14)17-11(7)18;2*1-6-4-9(19-8(6)5-18)17-3-2-7-10(14)15-12(13)16-11(7)17/h1,4-5,8,10,20H,6-7H2,2H3,(H2,16,17,18);2-3,7,9,19-20H,4-6H2,1H3,(H2,15,16,17);2-3,5,7,9,20H,4,6H2,1H3,(H2,15,16,17);1,3-4,8-9,19-20H,5-6H2,(H2,15,16,17);2-3,6,8-9,18H,4-5H2,1H3,(H2,14,15,16);2-3,5-6,8-9H,4H2,1H3,(H2,14,15,16)/t8-,10+,14+;7-,9+;7-,9+,13+;8-,9+,13+;2*6-,8+,9+/m000000/s1.

What are the key properties of (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol?

(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol has a molecular weight of 1703.69 g/mol, XLogP of 4.28, 14 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolane-2-carbaldehyde;[(3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol;(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol is sourced from PubChem (CID 157065245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).