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

C16H27N5O4Si — CID 163737131

IUPAC9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine
SMILESCC1[C@@H](OO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27N5O4Si/c1-9-11(25-26(5,6)16(2,3)4)14(23-15(9)24-22)21-8-20-10-12(17)18-7-19-13(10)21/h7-9,11,14-15,22H,1-6H3,(H2,17,18,19)/t9?,11-,14-,15-/m1/s1
InChIKeyWGMFHVURYPJDFG-NJQGAQSKSA-N
MW381.51 g/mol
LogP2.78
Rot. Bonds4

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

9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine (PubChem CID 163737131) has the molecular formula C16H27N5O4Si and a molecular weight of 381.51 g/mol. Its IUPAC name is 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine
PubChem CID163737131
Molecular FormulaC16H27N5O4Si
Molecular Weight381.51 g/mol
Exact Mass381.18
IUPAC Name9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine
SMILESCC1[C@@H](OO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27N5O4Si/c1-9-11(25-26(5,6)16(2,3)4)14(23-15(9)24-22)21-8-20-10-12(17)18-7-19-13(10)21/h7-9,11,14-15,22H,1-6H3,(H2,17,18,19)/t9?,11-,14-,15-/m1/s1
InChIKeyWGMFHVURYPJDFG-NJQGAQSKSA-N
XLogP2.78
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

9-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(chloromethyl)oxolan-2-yl]purin-6-amine
CID 177352538
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolan-2-yl]methanol
CID 174057752
9-[(2R,3R,4R,5R)-5-(azidomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]purin-6-amine
CID 91182722
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 146018019
9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 163886301
methyl (2S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate
CID 174010666
(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
9-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]purin-6-amine
CID 175677046
9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 159630794
9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine
CID 162155117
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine (CID 163737131) is 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine is CC1[C@@H](OO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine?
The InChIKey is WGMFHVURYPJDFG-NJQGAQSKSA-N. The full InChI is InChI=1S/C16H27N5O4Si/c1-9-11(25-26(5,6)16(2,3)4)14(23-15(9)24-22)21-8-20-10-12(17)18-7-19-13(10)21/h7-9,11,14-15,22H,1-6H3,(H2,17,18,19)/t9?,11-,14-,15-/m1/s1.
What are the key properties of 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine?
9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine has a molecular weight of 381.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine is sourced from PubChem (CID 163737131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).