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

C16H27N5O3Si — CID 67780261

IUPAC(2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCCCC[Si](C)(C)[C@]1(n2cnc3c(N)ncnc32)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C16H27N5O3Si/c1-4-5-6-25(2,3)16(7-11(23)12(8-22)24-16)21-10-20-13-14(17)18-9-19-15(13)21/h9-12,22-23H,4-8H2,1-3H3,(H2,17,18,19)/t11-,12+,16-/m0/s1
InChIKeySZYLGMQGOPPIKZ-OZVIIMIRSA-N
MW365.51 g/mol
LogP1.25
Rot. Bonds6

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

(2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 67780261) has the molecular formula C16H27N5O3Si and a molecular weight of 365.51 g/mol. Its IUPAC name is (2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID67780261
Molecular FormulaC16H27N5O3Si
Molecular Weight365.51 g/mol
Exact Mass365.19
IUPAC Name(2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCCCC[Si](C)(C)[C@]1(n2cnc3c(N)ncnc32)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C16H27N5O3Si/c1-4-5-6-25(2,3)16(7-11(23)12(8-22)24-16)21-10-20-13-14(17)18-9-19-15(13)21/h9-12,22-23H,4-8H2,1-3H3,(H2,17,18,19)/t11-,12+,16-/m0/s1
InChIKeySZYLGMQGOPPIKZ-OZVIIMIRSA-N
XLogP1.25
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 68646354
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58142645
1-[(2S,4S,5R)-2-[butyl(dimethyl)silyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67680664
(2R,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-[1-(2-nitrophenyl)ethyl]oxolan-3-ol
CID 66830952
(2R,3R,4S,5R)-2-(1-adamantyl)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 68586747
(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
CID 145088486
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-5-methyloxolan-3-ol
CID 139639688
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67570457
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-5-cyclohexyl-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 140975492
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-chloromethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154422167
(2R,3R,4R,5R)-2-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxane-3,4,5-triol
CID 139896147

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol (CID 67780261) is (2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol is CCCC[Si](C)(C)[C@]1(n2cnc3c(N)ncnc32)C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is SZYLGMQGOPPIKZ-OZVIIMIRSA-N. The full InChI is InChI=1S/C16H27N5O3Si/c1-4-5-6-25(2,3)16(7-11(23)12(8-22)24-16)21-10-20-13-14(17)18-9-19-15(13)21/h9-12,22-23H,4-8H2,1-3H3,(H2,17,18,19)/t11-,12+,16-/m0/s1.
What are the key properties of (2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 365.51 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 67780261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).