(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol

C18H32N6O3Si — CID 146020120

IUPAC(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol
SMILESCN(C)[C@H]1[C@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32N6O3Si/c1-18(2,3)28(6,7)26-8-11-13(23(4)5)14(25)17(27-11)24-10-22-12-15(19)20-9-21-16(12)24/h9-11,13-14,17,25H,8H2,1-7H3,(H2,19,20,21)/t11-,13-,14+,17-/m1/s1
InChIKeyIGAURLMEVWYJJR-MBMVNNNZSA-N
MW408.58 g/mol
LogP1.62
Rot. Bonds5

About (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol

(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol (PubChem CID 146020120) has the molecular formula C18H32N6O3Si and a molecular weight of 408.58 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol
PubChem CID146020120
Molecular FormulaC18H32N6O3Si
Molecular Weight408.58 g/mol
Exact Mass408.23
IUPAC Name(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol
SMILESCN(C)[C@H]1[C@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32N6O3Si/c1-18(2,3)28(6,7)26-8-11-13(23(4)5)14(25)17(27-11)24-10-22-12-15(19)20-9-21-16(12)24/h9-11,13-14,17,25H,8H2,1-7H3,(H2,19,20,21)/t11-,13-,14+,17-/m1/s1
InChIKeyIGAURLMEVWYJJR-MBMVNNNZSA-N
XLogP1.62
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
O-[(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-yl] imidazole-1-carbothioate
CID 146020122
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
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
(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-6-[[tert-butyl(dimethyl)silyl]oxy(113C)methyl]-3a,4,6,6a-tetrahydro(2,3,4,5-13C4)furano[3,4-d](4,5-13C2)[1,3]dioxole-2-thione
CID 101216859
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(dimethylaminooxymethyl)oxolane-3,4-diol
CID 87919361
[(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
O-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylsulfanylcarbothioyloxyoxolan-3-yl] methylsulfanylmethanethioate
CID 11284410
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-3-ol;N,N-diethylethanamine
CID 67863411
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
CID 11081703
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol
CID 69018733

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol?
The IUPAC name of (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol (CID 146020120) is (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol.
What is the SMILES notation for (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol?
The canonical SMILES for (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol is CN(C)[C@H]1[C@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol?
The InChIKey is IGAURLMEVWYJJR-MBMVNNNZSA-N. The full InChI is InChI=1S/C18H32N6O3Si/c1-18(2,3)28(6,7)26-8-11-13(23(4)5)14(25)17(27-11)24-10-22-12-15(19)20-9-21-16(12)24/h9-11,13-14,17,25H,8H2,1-7H3,(H2,19,20,21)/t11-,13-,14+,17-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol?
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol has a molecular weight of 408.58 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol is sourced from PubChem (CID 146020120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).