(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol

C17H28N4O3Si — CID 159661828

IUPAC(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol
SMILESCC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C17H28N4O3Si/c1-7-12-13(22)14(24-25(5,6)17(2,3)4)16(23-12)21-10-20-11-8-18-9-19-15(11)21/h8-10,12-14,16,22H,7H2,1-6H3/t12-,13-,14-,16-/m1/s1
InChIKeyPGANLZCVZRRXQA-IXYNUQLISA-N
MW364.52 g/mol
LogP2.88
Rot. Bonds4

About (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol

(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol (PubChem CID 159661828) has the molecular formula C17H28N4O3Si and a molecular weight of 364.52 g/mol. Its IUPAC name is (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol
PubChem CID159661828
Molecular FormulaC17H28N4O3Si
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol
SMILESCC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C17H28N4O3Si/c1-7-12-13(22)14(24-25(5,6)17(2,3)4)16(23-12)21-10-20-11-8-18-9-19-15(11)21/h8-10,12-14,16,22H,7H2,1-6H3/t12-,13-,14-,16-/m1/s1
InChIKeyPGANLZCVZRRXQA-IXYNUQLISA-N
XLogP2.88
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol
CID 167580905
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
9-[(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-2-(2-methylpropylamino)-1H-purin-6-one
CID 160540373
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
CID 56980111
(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
[4-hydroxy-2-(methoxymethyl)-5-purin-9-yloxolan-3-yl]oxy-methylphosphinic acid
CID 76783715
[(2R,3R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl dihydrogen phosphate
CID 163766650
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-3-ol;N,N-diethylethanamine
CID 67863411
[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol
CID 174009285
9-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(chloromethyl)oxolan-2-yl]purin-6-amine
CID 177352538
9-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]purine
CID 174181937
9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 159630794

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol (CID 159661828) is (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol is CC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol?
The InChIKey is PGANLZCVZRRXQA-IXYNUQLISA-N. The full InChI is InChI=1S/C17H28N4O3Si/c1-7-12-13(22)14(24-25(5,6)17(2,3)4)16(23-12)21-10-20-11-8-18-9-19-15(11)21/h8-10,12-14,16,22H,7H2,1-6H3/t12-,13-,14-,16-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol?
(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol has a molecular weight of 364.52 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol is sourced from PubChem (CID 159661828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).