[(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane

C36H50N4O4Si2 — CID 154335342

IUPAC[(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1n1cnc2c(-c3cccc(-c4ccccc4)c3)ncnc21
InChIInChI=1S/C36H50N4O4Si2/c1-34(2,3)45(10,11)43-31-30-27(21-41-46(44-30,35(4,5)6)36(7,8)9)42-33(31)40-23-39-29-28(37-22-38-32(29)40)26-19-15-18-25(20-26)24-16-13-12-14-17-24/h12-20,22-23,27,30-31,33H,21H2,1-11H3/t27-,30-,31-,33-/m1/s1
InChIKeyNMVTVTTZDAMCMC-UGUWQOMFSA-N
MW658.99 g/mol
LogP8.91
Rot. Bonds5

About [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane

[(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 154335342) has the molecular formula C36H50N4O4Si2 and a molecular weight of 658.99 g/mol. Its IUPAC name is [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID154335342
Molecular FormulaC36H50N4O4Si2
Molecular Weight658.99 g/mol
Exact Mass658.34
IUPAC Name[(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1n1cnc2c(-c3cccc(-c4ccccc4)c3)ncnc21
InChIInChI=1S/C36H50N4O4Si2/c1-34(2,3)45(10,11)43-31-30-27(21-41-46(44-30,35(4,5)6)36(7,8)9)42-33(31)40-23-39-29-28(37-22-38-32(29)40)26-19-15-18-25(20-26)24-16-13-12-14-17-24/h12-20,22-23,27,30-31,33H,21H2,1-11H3/t27-,30-,31-,33-/m1/s1
InChIKeyNMVTVTTZDAMCMC-UGUWQOMFSA-N
XLogP8.91
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.99
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

9-[(4aS,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-2-amino-1H-purin-6-one
CID 137203032
N'-[9-[(4aR,6R,7aS)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
CID 136652187
[(4aR,7R,7aR)-2,2-ditert-butyl-6-[6-(2-trimethylsilylethoxy)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl] acetate
CID 70799502
3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[6-(3-phenylphenyl)purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 154486591
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 139257485
5-[(4aR,6S,7S,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-N,N-dibenzylpyrimidin-2-amine
CID 44518881
[3-acetyloxy-2-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]phenyl] acetate
CID 71817572
[2-[9-[(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]phenyl] acetate
CID 154717862
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 46210058
N-benzyl-9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine
CID 135015311
9-[(6aR,8R,9R,9aS)-9-(benzyl(15N)amino)-2,2,4,4-tetratert-butyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-amino-1H-purin-6-one
CID 136832909
9-[(4aR,6R,7aS)-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-6-chloropurine
CID 140822398

Frequently Asked Questions

What is the IUPAC name of [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane (CID 154335342) is [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1n1cnc2c(-c3cccc(-c4ccccc4)c3)ncnc21.
What is the InChIKey of [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is NMVTVTTZDAMCMC-UGUWQOMFSA-N. The full InChI is InChI=1S/C36H50N4O4Si2/c1-34(2,3)45(10,11)43-31-30-27(21-41-46(44-30,35(4,5)6)36(7,8)9)42-33(31)40-23-39-29-28(37-22-38-32(29)40)26-19-15-18-25(20-26)24-16-13-12-14-17-24/h12-20,22-23,27,30-31,33H,21H2,1-11H3/t27-,30-,31-,33-/m1/s1.
What are the key properties of [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?
[(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 658.99 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 154335342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).