9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine

C26H47N5O5Si2 — CID 171422383

IUPAC9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine
SMILESCO[C@H]1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(NC(C)C)ncnc21
InChIInChI=1S/C26H47N5O5Si2/c1-15(2)30-24-21-25(28-13-27-24)31(14-29-21)26-23(32-11)22-20(34-26)12-33-37(16(3)4,17(5)6)36-38(35-22,18(7)8)19(9)10/h13-20,22-23,26H,12H2,1-11H3,(H,27,28,30)/t20-,22?,23+,26-/m1/s1
InChIKeyDDZLUPCAEYXJOH-WVBWZXASSA-N
MW565.86 g/mol
LogP5.52
Rot. Bonds8

About 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine

9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine (PubChem CID 171422383) has the molecular formula C26H47N5O5Si2 and a molecular weight of 565.86 g/mol. Its IUPAC name is 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Name9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine
PubChem CID171422383
Molecular FormulaC26H47N5O5Si2
Molecular Weight565.86 g/mol
Exact Mass565.31
IUPAC Name9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine
SMILESCO[C@H]1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(NC(C)C)ncnc21
InChIInChI=1S/C26H47N5O5Si2/c1-15(2)30-24-21-25(28-13-27-24)31(14-29-21)26-23(32-11)22-20(34-26)12-33-37(16(3)4,17(5)6)36-38(35-22,18(7)8)19(9)10/h13-20,22-23,26H,12H2,1-11H3,(H,27,28,30)/t20-,22?,23+,26-/m1/s1
InChIKeyDDZLUPCAEYXJOH-WVBWZXASSA-N
XLogP5.52
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.86
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine 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

2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol
CID 22592794
(6aR,8R,9S,9aR)-8-(6-chloropurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 15051907
3-[(6aR,8R,9R,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methyl-[1,2,4]triazolo[1,5-a]purin-9-one
CID 10745779
9-[(6aR,8R,9R,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-(2-methylpropanoyl)-1H-purin-6-one
CID 136880809
N-[9-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-9-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methoxy]-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]acetamide
CID 88914086
(6aR,8R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 2783865
(6aR,8S)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 59891160
N-[9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide
CID 11169469
9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine
CID 162465120
phenyl N-[9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]carbamate
CID 91089565
9-[(6aR,8R,9R,9aR)-9-tert-butylsulfanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurine
CID 10875739
N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]-4-methoxybenzamide
CID 156679969

Frequently Asked Questions

What is the IUPAC name of 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine?
The IUPAC name of 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine (CID 171422383) is 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine.
What is the SMILES notation for 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine?
The canonical SMILES for 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine is CO[C@H]1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(NC(C)C)ncnc21.
What is the InChIKey of 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine?
The InChIKey is DDZLUPCAEYXJOH-WVBWZXASSA-N. The full InChI is InChI=1S/C26H47N5O5Si2/c1-15(2)30-24-21-25(28-13-27-24)31(14-29-21)26-23(32-11)22-20(34-26)12-33-37(16(3)4,17(5)6)36-38(35-22,18(7)8)19(9)10/h13-20,22-23,26H,12H2,1-11H3,(H,27,28,30)/t20-,22?,23+,26-/m1/s1.
What are the key properties of 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine?
9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine has a molecular weight of 565.86 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6aR,8R,9S)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-N-propan-2-ylpurin-6-amine is sourced from PubChem (CID 171422383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).