[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate

C24H30FN5O8Si — CID 163362550

About [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate

[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate (PubChem CID 163362550) has the molecular formula C24H30FN5O8Si and a molecular weight of 563.62 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate.

Molecular Properties

• Compound Name: [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate
• PubChem CID: 163362550
• Molecular Formula: C24H30FN5O8Si
• Molecular Weight: 563.62 g/mol
• Exact Mass: 563.18
• IUPAC Name: [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate
• SMILES: C#C[C@]1(CO[Si](C)(C)C(C)(C)C)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1OC(=O)OC=C1OC(=O)OC1C
• InChI: InChI=1S/C24H30FN5O8Si/c1-8-24(11-34-39(6,7)23(3,4)5)15(37-21(31)33-10-14-13(2)35-22(32)36-14)9-16(38-24)30-12-27-17-18(26)28-20(25)29-19(17)30/h1,10,12-13,15-16H,9,11H2,2-7H3,(H2,26,28,29)/t13?,15-,16+,24+/m0/s1
• InChIKey: UWEQQUXNTUHUSY-XWSGLVPISA-N
• XLogP: 3.78
• TPSA: 159.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.62
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate?

The IUPAC name of [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate (CID 163362550) is [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate.

What is the SMILES notation for [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate?

The canonical SMILES for [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate is C#C[C@]1(CO[Si](C)(C)C(C)(C)C)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1OC(=O)OC=C1OC(=O)OC1C.

What is the InChIKey of [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate?

The InChIKey is UWEQQUXNTUHUSY-XWSGLVPISA-N. The full InChI is InChI=1S/C24H30FN5O8Si/c1-8-24(11-34-39(6,7)23(3,4)5)15(37-21(31)33-10-14-13(2)35-22(32)36-14)9-16(38-24)30-12-27-17-18(26)28-20(25)29-19(17)30/h1,10,12-13,15-16H,9,11H2,2-7H3,(H2,26,28,29)/t13?,15-,16+,24+/m0/s1.

What are the key properties of [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate?

[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate has a molecular weight of 563.62 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] (5-methyl-2-oxo-1,3-dioxolan-4-ylidene)methyl carbonate is sourced from PubChem (CID 163362550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).