[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate

C27H49N5O5Si2 — CID 23240896

IUPAC[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@]1(n2cnc3c(N)ncnc32)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H49N5O5Si2/c1-24(2,3)23(33)36-27(32-17-31-20-21(28)29-16-30-22(20)32)14-18(37-39(12,13)26(7,8)9)19(35-27)15-34-38(10,11)25(4,5)6/h16-19H,14-15H2,1-13H3,(H2,28,29,30)/t18-,19+,27+/m0/s1
InChIKeyURYHAGWDWISRKZ-DSNGTPCMSA-N
MW579.89 g/mol
LogP5.81
Rot. Bonds7

About [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate

[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate (PubChem CID 23240896) has the molecular formula C27H49N5O5Si2 and a molecular weight of 579.89 g/mol. Its IUPAC name is [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate
PubChem CID23240896
Molecular FormulaC27H49N5O5Si2
Molecular Weight579.89 g/mol
Exact Mass579.33
IUPAC Name[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@]1(n2cnc3c(N)ncnc32)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H49N5O5Si2/c1-24(2,3)23(33)36-27(32-17-31-20-21(28)29-16-30-22(20)32)14-18(37-39(12,13)26(7,8)9)19(35-27)15-34-38(10,11)25(4,5)6/h16-19H,14-15H2,1-13H3,(H2,28,29,30)/t18-,19+,27+/m0/s1
InChIKeyURYHAGWDWISRKZ-DSNGTPCMSA-N
XLogP5.81
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.89
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 146018019
[(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-iodooxolan-2-yl] 2,2-dimethylpropanoate
CID 100938196
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxolan-2-yl]methanol
CID 174863822
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] butanoate
CID 146018021
CID 67799447
CID 67799447
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
9-[(3aR,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
CID 168832119
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
[(3S,4R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-oxopentanoyloxy)oxolan-3-yl] 4-oxopentanoate
CID 140517474
9-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]purin-6-amine
CID 175677046
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol
CID 18650236

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate (CID 23240896) is [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@@]1(n2cnc3c(N)ncnc32)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is URYHAGWDWISRKZ-DSNGTPCMSA-N. The full InChI is InChI=1S/C27H49N5O5Si2/c1-24(2,3)23(33)36-27(32-17-31-20-21(28)29-16-30-22(20)32)14-18(37-39(12,13)26(7,8)9)19(35-27)15-34-38(10,11)25(4,5)6/h16-19H,14-15H2,1-13H3,(H2,28,29,30)/t18-,19+,27+/m0/s1.
What are the key properties of [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate?
[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 579.89 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 23240896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).