2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol

C12H17NO7 — CID 73084137

IUPAC2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol
SMILESCOc1cccnc1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C12H17NO7/c1-18-6-3-2-4-13-11(6)20-12-10(17)9(16)8(15)7(5-14)19-12/h2-4,7-10,12,14-17H,5H2,1H3
InChIKeyOOJRKPUFBZLMJE-UHFFFAOYSA-N
MW287.27 g/mol
LogP-1.73
Rot. Bonds4

About 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol (PubChem CID 73084137) has the molecular formula C12H17NO7 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol
PubChem CID73084137
Molecular FormulaC12H17NO7
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol
SMILESCOc1cccnc1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C12H17NO7/c1-18-6-3-2-4-13-11(6)20-12-10(17)9(16)8(15)7(5-14)19-12/h2-4,7-10,12,14-17H,5H2,1H3
InChIKeyOOJRKPUFBZLMJE-UHFFFAOYSA-N
XLogP-1.73
TPSA121.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(2R,3R,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4-diol
CID 100933502
2-[(3-bromo-2-pyridinyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134862019
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(3S,4S)-2-(4-hydroxy-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70943555
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol
CID 172624132
2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
CID 69086659
(3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11695369
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
CID 71254851
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol (CID 73084137) is 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol is COc1cccnc1OC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol?
The InChIKey is OOJRKPUFBZLMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO7/c1-18-6-3-2-4-13-11(6)20-12-10(17)9(16)8(15)7(5-14)19-12/h2-4,7-10,12,14-17H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol has a molecular weight of 287.27 g/mol, XLogP of -1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol is sourced from PubChem (CID 73084137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).