9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine

C22H42N6O3Si2 — CID 11454734

IUPAC9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](O[Si](CC)(CC)CC)[C@@H](CN)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C22H42N6O3Si2/c1-7-32(8-2,9-3)30-18-16(13-23)29-22(19(18)31-33(10-4,11-5)12-6)28-15-27-17-20(24)25-14-26-21(17)28/h14-16,18-19,22H,7-13,23H2,1-6H3,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
InChIKeyJQIXQRQQRXRZGN-WGQQHEPDSA-N
MW494.79 g/mol
LogP4.05
Rot. Bonds12

About 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine

9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine (PubChem CID 11454734) has the molecular formula C22H42N6O3Si2 and a molecular weight of 494.79 g/mol. Its IUPAC name is 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine
PubChem CID11454734
Molecular FormulaC22H42N6O3Si2
Molecular Weight494.79 g/mol
Exact Mass494.29
IUPAC Name9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](O[Si](CC)(CC)CC)[C@@H](CN)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C22H42N6O3Si2/c1-7-32(8-2,9-3)30-18-16(13-23)29-22(19(18)31-33(10-4,11-5)12-6)28-15-27-17-20(24)25-14-26-21(17)28/h14-16,18-19,22H,7-13,23H2,1-6H3,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
InChIKeyJQIXQRQQRXRZGN-WGQQHEPDSA-N
XLogP4.05
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.79
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]methyl]aziridine-2-carboxylate
CID 89347003
9-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(chloromethyl)oxolan-2-yl]purin-6-amine
CID 177352538
[(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate
CID 67233006
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 6481828
5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 19076332
(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
CID 21145488
(2R,3S,4S,5R,6R,7R)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methoxyoxepane-3,4,5-triol
CID 58940512
9-[(2R,3R,4R,5R)-5-(azidomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]purin-6-amine
CID 91182722
[(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
[(2R,3S,4R,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate
CID 13109686
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate
CID 40806590

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine (CID 11454734) is 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine is CC[Si](CC)(CC)O[C@@H]1[C@H](O[Si](CC)(CC)CC)[C@@H](CN)O[C@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine?
The InChIKey is JQIXQRQQRXRZGN-WGQQHEPDSA-N. The full InChI is InChI=1S/C22H42N6O3Si2/c1-7-32(8-2,9-3)30-18-16(13-23)29-22(19(18)31-33(10-4,11-5)12-6)28-15-27-17-20(24)25-14-26-21(17)28/h14-16,18-19,22H,7-13,23H2,1-6H3,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1.
What are the key properties of 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine?
9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine has a molecular weight of 494.79 g/mol, XLogP of 4.05, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis(triethylsilyloxy)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 11454734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).