tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane

C18H26ClFN4O2Si — CID 53376197

IUPACtert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3ncnc(Cl)c32)[C@]2(F)CC[C@H]12
InChIInChI=1S/C18H26ClFN4O2Si/c1-17(2,3)27(4,5)25-8-12-11-6-7-18(11,20)16(26-12)24-10-23-15-13(24)14(19)21-9-22-15/h9-12,16H,6-8H2,1-5H3/t11-,12-,16+,18+/m1/s1
InChIKeyICAJFINDBKDKTP-ZRUPIONWSA-N
MW412.97 g/mol
LogP4.52
Rot. Bonds4

About tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane (PubChem CID 53376197) has the molecular formula C18H26ClFN4O2Si and a molecular weight of 412.97 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane
PubChem CID53376197
Molecular FormulaC18H26ClFN4O2Si
Molecular Weight412.97 g/mol
Exact Mass412.15
IUPAC Nametert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3ncnc(Cl)c32)[C@]2(F)CC[C@H]12
InChIInChI=1S/C18H26ClFN4O2Si/c1-17(2,3)27(4,5)25-8-12-11-6-7-18(11,20)16(26-12)24-10-23-15-13(24)14(19)21-9-22-15/h9-12,16H,6-8H2,1-5H3/t11-,12-,16+,18+/m1/s1
InChIKeyICAJFINDBKDKTP-ZRUPIONWSA-N
XLogP4.52
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane
CID 14680648
tert-butyl (2R,5S)-2-(6-chloropurin-7-yl)-3,3-difluoro-5-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71462919
(2R,3R,4S,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14806024
(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-3-ol
CID 71014039
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol
CID 174009285
(2S,3S,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 11734107
9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine
CID 135015562
6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine
CID 10792021
7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 90349714
[(3aS,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 140776531
tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane
CID 59189418

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane (CID 53376197) is tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3ncnc(Cl)c32)[C@]2(F)CC[C@H]12.
What is the InChIKey of tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane?
The InChIKey is ICAJFINDBKDKTP-ZRUPIONWSA-N. The full InChI is InChI=1S/C18H26ClFN4O2Si/c1-17(2,3)27(4,5)25-8-12-11-6-7-18(11,20)16(26-12)24-10-23-15-13(24)14(19)21-9-22-15/h9-12,16H,6-8H2,1-5H3/t11-,12-,16+,18+/m1/s1.
What are the key properties of tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane has a molecular weight of 412.97 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 53376197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).