1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea

About 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea

1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea (PubChem CID 174151055) has the molecular formula C24H44N6O5Si2 and a molecular weight of 552.83 g/mol. Its IUPAC name is 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea.

Molecular Properties

Compound Name	1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea
PubChem CID	174151055
Molecular Formula	C24H44N6O5Si2
Molecular Weight	552.83 g/mol
Exact Mass	552.29
IUPAC Name	1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea
SMILES	CNC(=O)Nc1ncnc2c1[nH]c(=O)n2[C@H]1CC(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChI	InChI=1S/C24H44N6O5Si2/c1-23(2,3)36(8,9)33-13-16-15(35-37(10,11)24(4,5)6)12-17(34-16)30-20-18(28-22(30)32)19(26-14-27-20)29-21(31)25-7/h14-17H,12-13H2,1-11H3,(H,28,32)(H2,25,26,27,29,31)/t15?,16-,17-/m1/s1
InChIKey	MZOYJBDECDVWOC-YJEKIOLLSA-N
XLogP	4.57
TPSA	132.39 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.83
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea?

The IUPAC name of 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea (CID 174151055) is 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea.

What is the SMILES notation for 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea?

The canonical SMILES for 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea is CNC(=O)Nc1ncnc2c1[nH]c(=O)n2[C@H]1CC(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea?

The InChIKey is MZOYJBDECDVWOC-YJEKIOLLSA-N. The full InChI is InChI=1S/C24H44N6O5Si2/c1-23(2,3)36(8,9)33-13-16-15(35-37(10,11)24(4,5)6)12-17(34-16)30-20-18(28-22(30)32)19(26-14-27-20)29-21(31)25-7/h14-17H,12-13H2,1-11H3,(H,28,32)(H2,25,26,27,29,31)/t15?,16-,17-/m1/s1.

What are the key properties of 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea?

1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea has a molecular weight of 552.83 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea is sourced from PubChem (CID 174151055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).