(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol

About (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol

(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol (PubChem CID 67142927) has the molecular formula C23H41N3O4Si2 and a molecular weight of 479.77 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol.

Molecular Properties

Compound Name	(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
PubChem CID	67142927
Molecular Formula	C23H41N3O4Si2
Molecular Weight	479.77 g/mol
Exact Mass	479.26
IUPAC Name	(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
SMILES	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc3cncnc32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChI	InChI=1S/C23H41N3O4Si2/c1-22(2,3)31(7,8)28-14-17-19(30-32(9,10)23(4,5)6)18(27)21(29-17)26-12-11-16-13-24-15-25-20(16)26/h11-13,15,17-19,21,27H,14H2,1-10H3/t17-,18-,19-,21-/m1/s1
InChIKey	AOHLXSWBELMUEU-ANTGDGSKSA-N
XLogP	5.10
TPSA	78.63 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.77
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol?

The IUPAC name of (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol (CID 67142927) is (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol.

What is the SMILES notation for (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol?

The canonical SMILES for (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc3cncnc32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol?

The InChIKey is AOHLXSWBELMUEU-ANTGDGSKSA-N. The full InChI is InChI=1S/C23H41N3O4Si2/c1-22(2,3)31(7,8)28-14-17-19(30-32(9,10)23(4,5)6)18(27)21(29-17)26-12-11-16-13-24-15-25-20(16)26/h11-13,15,17-19,21,27H,14H2,1-10H3/t17-,18-,19-,21-/m1/s1.

What are the key properties of (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol?

(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol has a molecular weight of 479.77 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol is sourced from PubChem (CID 67142927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).