[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol

C17H29N5O3Si — CID 18650236

IUPAC[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@]1(C)CO
InChIInChI=1S/C17H29N5O3Si/c1-16(2,3)26(5,6)25-11-7-12(24-17(11,4)8-23)22-10-21-13-14(18)19-9-20-15(13)22/h9-12,23H,7-8H2,1-6H3,(H2,18,19,20)/t11-,12+,17+/m0/s1
InChIKeyPECXRNIHIRIRLK-XWCIJXRUSA-N
MW379.54 g/mol
LogP2.47
Rot. Bonds4

About [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol (PubChem CID 18650236) has the molecular formula C17H29N5O3Si and a molecular weight of 379.54 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol
PubChem CID18650236
Molecular FormulaC17H29N5O3Si
Molecular Weight379.54 g/mol
Exact Mass379.20
IUPAC Name[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@]1(C)CO
InChIInChI=1S/C17H29N5O3Si/c1-16(2,3)26(5,6)25-11-7-12(24-17(11,4)8-23)22-10-21-13-14(18)19-9-20-15(13)22/h9-12,23H,7-8H2,1-6H3,(H2,18,19,20)/t11-,12+,17+/m0/s1
InChIKeyPECXRNIHIRIRLK-XWCIJXRUSA-N
XLogP2.47
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
[3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol
CID 19775067
9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 163886301
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolan-2-yl]methanol
CID 174057752
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxolan-2-yl]methanol
CID 174863822
[(2R,5R)-5-(6-aminopurin-9-yl)-2-methoxyoxolan-2-yl]methanol
CID 67785258
[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxyiminomethyl)oxolan-2-yl]methanol
CID 131743847
(2R,5R)-5-(6-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
CID 59968635
(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbaldehyde
CID 144664797
[(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)-2-ethynyloxolan-2-yl]methanol
CID 170544097
9-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]purin-6-amine
CID 22297996
9-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(chloromethyl)oxolan-2-yl]purin-6-amine
CID 177352538

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol (CID 18650236) is [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@]1(C)CO.
What is the InChIKey of [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol?
The InChIKey is PECXRNIHIRIRLK-XWCIJXRUSA-N. The full InChI is InChI=1S/C17H29N5O3Si/c1-16(2,3)26(5,6)25-11-7-12(24-17(11,4)8-23)22-10-21-13-14(18)19-9-20-15(13)22/h9-12,23H,7-8H2,1-6H3,(H2,18,19,20)/t11-,12+,17+/m0/s1.
What are the key properties of [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol?
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol has a molecular weight of 379.54 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol is sourced from PubChem (CID 18650236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).