(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol

C16H27N5O3Si — CID 14192244

IUPAC(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C16H27N5O3Si/c1-16(2,3)25(4,5)23-7-10-6-11(22)15(24-10)21-9-20-12-13(17)18-8-19-14(12)21/h8-11,15,22H,6-7H2,1-5H3,(H2,17,18,19)/t10-,11+,15+/m0/s1
InChIKeyFVJGHGXRYUDCFA-FIXISWKDSA-N
MW365.51 g/mol
LogP2.08
Rot. Bonds4

About (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol

(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol (PubChem CID 14192244) has the molecular formula C16H27N5O3Si and a molecular weight of 365.51 g/mol. Its IUPAC name is (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
PubChem CID14192244
Molecular FormulaC16H27N5O3Si
Molecular Weight365.51 g/mol
Exact Mass365.19
IUPAC Name(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C16H27N5O3Si/c1-16(2,3)25(4,5)23-7-10-6-11(22)15(24-10)21-9-20-12-13(17)18-8-19-14(12)21/h8-11,15,22H,6-7H2,1-5H3,(H2,17,18,19)/t10-,11+,15+/m0/s1
InChIKeyFVJGHGXRYUDCFA-FIXISWKDSA-N
XLogP2.08
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol with MolForge

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Related Compounds

(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(prop-1-en-2-yloxymethyl)oxolan-3-ol
CID 155058716
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol
CID 146020120
(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol
CID 91227656
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
2-(6-aminopurin-9-yl)-5-(phosphorosomethoxymethyl)oxolan-3-ol
CID 175453370
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-3-ol
CID 155062621
9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 163886301
N-[9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 67717718
[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl propan-2-yl hydrogen phosphite
CID 144900448
O-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylsulfanylcarbothioyloxyoxolan-3-yl] methylsulfanylmethanethioate
CID 11284410

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol (CID 14192244) is (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1.
What is the InChIKey of (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol?
The InChIKey is FVJGHGXRYUDCFA-FIXISWKDSA-N. The full InChI is InChI=1S/C16H27N5O3Si/c1-16(2,3)25(4,5)23-7-10-6-11(22)15(24-10)21-9-20-12-13(17)18-8-19-14(12)21/h8-11,15,22H,6-7H2,1-5H3,(H2,17,18,19)/t10-,11+,15+/m0/s1.
What are the key properties of (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol?
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol has a molecular weight of 365.51 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol is sourced from PubChem (CID 14192244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).