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

C11H14N4O4 — CID 14803552

IUPAC2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
SMILESCOc1ncnc2c1ncn2C1CC(O)C(CO)O1
InChIInChI=1S/C11H14N4O4/c1-18-11-9-10(12-4-13-11)15(5-14-9)8-2-6(17)7(3-16)19-8/h4-8,16-17H,2-3H2,1H3
InChIKeyOKUCPECQZYJFRT-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.52
Rot. Bonds3

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

2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol (PubChem CID 14803552) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
PubChem CID14803552
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
SMILESCOc1ncnc2c1ncn2C1CC(O)C(CO)O1
InChIInChI=1S/C11H14N4O4/c1-18-11-9-10(12-4-13-11)15(5-14-9)8-2-6(17)7(3-16)19-8/h4-8,16-17H,2-3H2,1H3
InChIKeyOKUCPECQZYJFRT-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

(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2S,3R,5R)-5-(2-bromo-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921806
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 67241978
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(4-methoxyanilino)purin-9-yl]oxolan-3-ol
CID 11164166
5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23149721
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(1,2,4-triazol-4-yl)purin-9-yl]oxolan-3-ol
CID 10902839
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(1,2,4-triazol-4-yl)purin-9-yl]oxolan-3-ol
CID 10494771

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol (CID 14803552) is 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol is COc1ncnc2c1ncn2C1CC(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol?
The InChIKey is OKUCPECQZYJFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-18-11-9-10(12-4-13-11)15(5-14-9)8-2-6(17)7(3-16)19-8/h4-8,16-17H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol?
2-(hydroxymethyl)-5-(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 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol is sourced from PubChem (CID 14803552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).