6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine

C24H45N5O3Si2 — CID 174151405

About 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine

6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine (PubChem CID 174151405) has the molecular formula C24H45N5O3Si2 and a molecular weight of 507.83 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine.

Molecular Properties

• Compound Name: 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine
• PubChem CID: 174151405
• Molecular Formula: C24H45N5O3Si2
• Molecular Weight: 507.83 g/mol
• Exact Mass: 507.31
• IUPAC Name: 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine
• SMILES: CC[C@H]1O[C@@H](n2cnc3c(O[Si](C)(C)C(C)(C)C)nc(N)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)C1C
• InChI: InChI=1S/C24H45N5O3Si2/c1-13-16-15(2)18(31-33(9,10)23(3,4)5)21(30-16)29-14-26-17-19(29)27-22(25)28-20(17)32-34(11,12)24(6,7)8/h14-16,18,21H,13H2,1-12H3,(H2,25,27,28)/t15?,16-,18+,21-/m1/s1
• InChIKey: CMFLJRRPGUNEAG-NSLFYOLQSA-N
• XLogP: 6.13
• TPSA: 97.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.83
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine?

The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine (CID 174151405) is 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine.

What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine?

The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine is CC[C@H]1O[C@@H](n2cnc3c(O[Si](C)(C)C(C)(C)C)nc(N)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)C1C.

What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine?

The InChIKey is CMFLJRRPGUNEAG-NSLFYOLQSA-N. The full InChI is InChI=1S/C24H45N5O3Si2/c1-13-16-15(2)18(31-33(9,10)23(3,4)5)21(30-16)29-14-26-17-19(29)27-22(25)28-20(17)32-34(11,12)24(6,7)8/h14-16,18,21H,13H2,1-12H3,(H2,25,27,28)/t15?,16-,18+,21-/m1/s1.

What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine?

6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine has a molecular weight of 507.83 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[tert-butyl(dimethyl)silyl]oxy-9-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]purin-2-amine is sourced from PubChem (CID 174151405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).