tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane

C27H31ClN4O2Si — CID 134835032

IUPACtert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC[C@@H]1OCC[C@H]1n1cnc2c(Cl)ncnc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31ClN4O2Si/c1-27(2,3)35(20-10-6-4-7-11-20,21-12-8-5-9-13-21)34-17-15-23-22(14-16-33-23)32-19-31-24-25(28)29-18-30-26(24)32/h4-13,18-19,22-23H,14-17H2,1-3H3/t22-,23+/m1/s1
InChIKeyJNHAQCMBZUJYCO-PKTZIBPZSA-N
MW507.11 g/mol
LogP4.78
Rot. Bonds7

About tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane (PubChem CID 134835032) has the molecular formula C27H31ClN4O2Si and a molecular weight of 507.11 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane
PubChem CID134835032
Molecular FormulaC27H31ClN4O2Si
Molecular Weight507.11 g/mol
Exact Mass506.19
IUPAC Nametert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC[C@@H]1OCC[C@H]1n1cnc2c(Cl)ncnc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31ClN4O2Si/c1-27(2,3)35(20-10-6-4-7-11-20,21-12-8-5-9-13-21)34-17-15-23-22(14-16-33-23)32-19-31-24-25(28)29-18-30-26(24)32/h4-13,18-19,22-23H,14-17H2,1-3H3/t22-,23+/m1/s1
InChIKeyJNHAQCMBZUJYCO-PKTZIBPZSA-N
XLogP4.78
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.11
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-9-[(2S,3S)-2-(2-phenylmethoxyethyl)oxolan-3-yl]purine
CID 100985058
2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethanol
CID 102417514
[(3aR,4R,6R,6aS)-4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydroselenopheno[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 102103458
9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine
CID 18657707
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
CID 11081703
tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
CID 23240942
tert-butyl-[[4-(6-chloro-2-fluoropurin-9-yl)-1,3-dioxolan-2-yl]methoxy]-diphenylsilane
CID 54310455
3-[9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-chloropurin-8-yl]propanoic acid
CID 174055921
[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(6-chloropurin-9-yl)-4-[[2-(9H-fluoren-1-yl)acetyl]amino]oxolan-3-yl] acetate
CID 87733230
(2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol
CID 70810152
tert-butyl-[2-[(2R,3S)-3-methoxy-2,3,4,7-tetrahydrooxepin-2-yl]ethoxy]-diphenylsilane
CID 146164183
(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
CID 10646782

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane (CID 134835032) is tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane is CC(C)(C)[Si](OCC[C@@H]1OCC[C@H]1n1cnc2c(Cl)ncnc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane?
The InChIKey is JNHAQCMBZUJYCO-PKTZIBPZSA-N. The full InChI is InChI=1S/C27H31ClN4O2Si/c1-27(2,3)35(20-10-6-4-7-11-20,21-12-8-5-9-13-21)34-17-15-23-22(14-16-33-23)32-19-31-24-25(28)29-18-30-26(24)32/h4-13,18-19,22-23H,14-17H2,1-3H3/t22-,23+/m1/s1.
What are the key properties of tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane has a molecular weight of 507.11 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 134835032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).