(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol

C11H14N4O4 — CID 67462865

IUPAC(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol
SMILESCOc1c2ncnc-2ncn1[C@@H]1O[C@H](CO)C[C@H]1O
InChIInChI=1S/C11H14N4O4/c1-18-11-8-9(13-4-12-8)14-5-15(11)10-7(17)2-6(3-16)19-10/h4-7,10,16-17H,2-3H2,1H3/t6-,7+,10+/m0/s1
InChIKeyODFGMUBHRZHCSC-NYNCVSEMSA-N
MW266.26 g/mol
LogP-0.57
Rot. Bonds3

About (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol

(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol (PubChem CID 67462865) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol
PubChem CID67462865
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol
SMILESCOc1c2ncnc-2ncn1[C@@H]1O[C@H](CO)C[C@H]1O
InChIInChI=1S/C11H14N4O4/c1-18-11-8-9(13-4-12-8)14-5-15(11)10-7(17)2-6(3-16)19-10/h4-7,10,16-17H,2-3H2,1H3/t6-,7+,10+/m0/s1
InChIKeyODFGMUBHRZHCSC-NYNCVSEMSA-N
XLogP-0.57
TPSA102.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol
CID 162472566
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
5-(hydroxymethyl)-2-[6-[1-(3,4,5-trimethoxyphenyl)ethylamino]purin-9-yl]oxolan-3-ol
CID 123709591
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
(2R,3R,5S)-5-(hydroxymethyl)-2-[6-[(4-methoxyphenyl)methylsulfanylmethylamino]purin-9-yl]oxolan-3-ol
CID 69265080
(2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 102573581
(2R,3S)-5-(6-fluoropurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90951411
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;diphosphono hydrogen phosphate
CID 174741919
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
(2R,5S)-5-(hydroxymethyl)-2-[6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]oxolan-3-ol
CID 163914007

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol (CID 67462865) is (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol is COc1c2ncnc-2ncn1[C@@H]1O[C@H](CO)C[C@H]1O.
What is the InChIKey of (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol?
The InChIKey is ODFGMUBHRZHCSC-NYNCVSEMSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-18-11-8-9(13-4-12-8)14-5-15(11)10-7(17)2-6(3-16)19-10/h4-7,10,16-17H,2-3H2,1H3/t6-,7+,10+/m0/s1.
What are the key properties of (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol?
(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol has a molecular weight of 266.26 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol is sourced from PubChem (CID 67462865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).