9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine

C35H59N5O4Si3 — CID 45111023

IUPAC9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(/C=C/c3ccccc3)nc3c(OCC[Si](C)(C)C)nc(N)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H59N5O4Si3/c1-34(2,3)46(10,11)42-24-27-26(44-47(12,13)35(4,5)6)23-29(43-27)40-28(20-19-25-17-15-14-16-18-25)37-30-31(40)38-33(36)39-32(30)41-21-22-45(7,8)9/h14-20,26-27,29H,21-24H2,1-13H3,(H2,36,38,39)/b20-19+/t26-,27+,29+/m0/s1
InChIKeyBHLNKGIDLMPEAZ-DNJYHDOQSA-N
MW698.15 g/mol
LogP9.00
Rot. Bonds12

About 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine

9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine (PubChem CID 45111023) has the molecular formula C35H59N5O4Si3 and a molecular weight of 698.15 g/mol. Its IUPAC name is 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine.

Molecular Properties

Compound Name9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine
PubChem CID45111023
Molecular FormulaC35H59N5O4Si3
Molecular Weight698.15 g/mol
Exact Mass697.39
IUPAC Name9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(/C=C/c3ccccc3)nc3c(OCC[Si](C)(C)C)nc(N)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H59N5O4Si3/c1-34(2,3)46(10,11)42-24-27-26(44-47(12,13)35(4,5)6)23-29(43-27)40-28(20-19-25-17-15-14-16-18-25)37-30-31(40)38-33(36)39-32(30)41-21-22-45(7,8)9/h14-20,26-27,29H,21-24H2,1-13H3,(H2,36,38,39)/b20-19+/t26-,27+,29+/m0/s1
InChIKeyBHLNKGIDLMPEAZ-DNJYHDOQSA-N
XLogP9.00
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.15
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(E)-2-[6-amino-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-8-yl]ethenyl]phenyl]ethanone
CID 24859607
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-[(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
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
2-amino-8-bromo-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
CID 135540571
[(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
tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane
CID 139670541
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
[(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
tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-ethenylpurin-9-yl)oxolan-2-yl]methoxy]-dimethylsilane
CID 171812020
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]-1-hydroxypurin-6-one
CID 102507017

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine?
The IUPAC name of 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine (CID 45111023) is 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine.
What is the SMILES notation for 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine?
The canonical SMILES for 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(/C=C/c3ccccc3)nc3c(OCC[Si](C)(C)C)nc(N)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine?
The InChIKey is BHLNKGIDLMPEAZ-DNJYHDOQSA-N. The full InChI is InChI=1S/C35H59N5O4Si3/c1-34(2,3)46(10,11)42-24-27-26(44-47(12,13)35(4,5)6)23-29(43-27)40-28(20-19-25-17-15-14-16-18-25)37-30-31(40)38-33(36)39-32(30)41-21-22-45(7,8)9/h14-20,26-27,29H,21-24H2,1-13H3,(H2,36,38,39)/b20-19+/t26-,27+,29+/m0/s1.
What are the key properties of 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine?
9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine has a molecular weight of 698.15 g/mol, XLogP of 9.00, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-[(E)-2-phenylethenyl]-6-(2-trimethylsilylethoxy)purin-2-amine is sourced from PubChem (CID 45111023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).