[(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane

C35H49N7O5Si2 — CID 135015558

IUPAC[(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc(On4nnc5ccccc54)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H49N7O5Si2/c1-34(2,3)48(7,8)44-22-28-27(47-49(9,10)35(4,5)6)20-29(45-28)41-23-36-30-31(41)37-33(38-32(30)43-21-24-16-12-11-13-17-24)46-42-26-19-15-14-18-25(26)39-40-42/h11-19,23,27-29H,20-22H2,1-10H3/t27-,28+,29+/m0/s1
InChIKeyUEOWSTKCJVWVHQ-ZGIBFIJWSA-N
MW703.99 g/mol
LogP7.69
Rot. Bonds11

About [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 135015558) has the molecular formula C35H49N7O5Si2 and a molecular weight of 703.99 g/mol. Its IUPAC name is [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID135015558
Molecular FormulaC35H49N7O5Si2
Molecular Weight703.99 g/mol
Exact Mass703.33
IUPAC Name[(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc(On4nnc5ccccc54)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H49N7O5Si2/c1-34(2,3)48(7,8)44-22-28-27(47-49(9,10)35(4,5)6)20-29(45-28)41-23-36-30-31(41)37-33(38-32(30)43-21-24-16-12-11-13-17-24)46-42-26-19-15-14-18-25(26)39-40-42/h11-19,23,27-29H,20-22H2,1-10H3/t27-,28+,29+/m0/s1
InChIKeyUEOWSTKCJVWVHQ-ZGIBFIJWSA-N
XLogP7.69
TPSA120.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500703.99
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,5R)-5-[6-(benzotriazol-1-yl)purin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 24805985
9-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-[dihydroxy(phenyl)-λ4-sulfanyl]oxypurin-2-amine
CID 20656106
9-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-[2-nitro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-6-phenylmethoxypurin-2-amine
CID 153436054
[4-[[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-(2-methylpropanoylamino)purin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate
CID 169173808
N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-ethenylpurin-2-yl]-2-phenylacetamide
CID 102162741
9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine
CID 11114928
tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[2-(2-methylphenyl)ethynyl]purin-9-yl]oxolan-3-yl]oxy-dimethylsilane
CID 101463064
4-[[2-amino-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]benzonitrile
CID 101489571
9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1-hydroxypurin-6-one
CID 102507017
9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-[(4-iodophenyl)methyl]purin-6-amine
CID 59736557
tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-ethenylpurin-9-yl)oxolan-2-yl]methoxy]-dimethylsilane
CID 171812020
2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol
CID 59408165

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane (CID 135015558) is [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc(On4nnc5ccccc54)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UEOWSTKCJVWVHQ-ZGIBFIJWSA-N. The full InChI is InChI=1S/C35H49N7O5Si2/c1-34(2,3)48(7,8)44-22-28-27(47-49(9,10)35(4,5)6)20-29(45-28)41-23-36-30-31(41)37-33(38-32(30)43-21-24-16-12-11-13-17-24)46-42-26-19-15-14-18-25(26)39-40-42/h11-19,23,27-29H,20-22H2,1-10H3/t27-,28+,29+/m0/s1.
What are the key properties of [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 703.99 g/mol, XLogP of 7.69, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135015558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).