5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol

C11H14N4O4 — CID 76803071

IUPAC5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
SMILESCOc1ncnc2c1ncn2C1OC(CO)CC1O
InChIInChI=1S/C11H14N4O4/c1-18-10-8-9(12-4-13-10)15(5-14-8)11-7(17)2-6(3-16)19-11/h4-7,11,16-17H,2-3H2,1H3
InChIKeyQKHSJWMRKTZSRT-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.52
Rot. Bonds3

About 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol

5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol (PubChem CID 76803071) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
PubChem CID76803071
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
SMILESCOc1ncnc2c1ncn2C1OC(CO)CC1O
InChIInChI=1S/C11H14N4O4/c1-18-10-8-9(12-4-13-10)15(5-14-8)11-7(17)2-6(3-16)19-11/h4-7,11,16-17H,2-3H2,1H3
InChIKeyQKHSJWMRKTZSRT-UHFFFAOYSA-N
XLogP-0.52
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 ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol
CID 162472566
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] acetate
CID 54449040
5-(hydroxymethyl)-2-[6-[1-(3,4,5-trimethoxyphenyl)ethylamino]purin-9-yl]oxolan-3-ol
CID 123709591
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;diphosphono hydrogen phosphate
CID 174741919
(2R,3R,5S)-5-(hydroxymethyl)-2-[6-[(4-methoxyphenyl)methylsulfanylmethylamino]purin-9-yl]oxolan-3-ol
CID 69265080
[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 10037827
(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol
CID 67462865
[(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-propanoyloxyoxolan-3-yl] propanoate
CID 15115677

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol (CID 76803071) is 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol is COc1ncnc2c1ncn2C1OC(CO)CC1O.
What is the InChIKey of 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol?
The InChIKey is QKHSJWMRKTZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-18-10-8-9(12-4-13-10)15(5-14-8)11-7(17)2-6(3-16)19-11/h4-7,11,16-17H,2-3H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol?
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol has a molecular weight of 266.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol is sourced from PubChem (CID 76803071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).