(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol

C15H20N4O6 — CID 102277499

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCn2cc(-c3ccccn3)nn2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20N4O6/c20-8-11-12(21)13(22)14(23)15(25-11)24-6-5-19-7-10(17-18-19)9-3-1-2-4-16-9/h1-4,7,11-15,20-23H,5-6,8H2/t11-,12-,13+,14-,15-/m1/s1
InChIKeyJTIUDSXPINGCRX-UXXRCYHCSA-N
MW352.35 g/mol
LogP-1.84
Rot. Bonds6

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol (PubChem CID 102277499) has the molecular formula C15H20N4O6 and a molecular weight of 352.35 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol
PubChem CID102277499
Molecular FormulaC15H20N4O6
Molecular Weight352.35 g/mol
Exact Mass352.14
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCn2cc(-c3ccccn3)nn2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20N4O6/c20-8-11-12(21)13(22)14(23)15(25-11)24-6-5-19-7-10(17-18-19)9-3-1-2-4-16-9/h1-4,7,11-15,20-23H,5-6,8H2/t11-,12-,13+,14-,15-/m1/s1
InChIKeyJTIUDSXPINGCRX-UXXRCYHCSA-N
XLogP-1.84
TPSA142.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol (CID 102277499) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol is OC[C@H]1O[C@@H](OCCn2cc(-c3ccccn3)nn2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol?
The InChIKey is JTIUDSXPINGCRX-UXXRCYHCSA-N. The full InChI is InChI=1S/C15H20N4O6/c20-8-11-12(21)13(22)14(23)15(25-11)24-6-5-19-7-10(17-18-19)9-3-1-2-4-16-9/h1-4,7,11-15,20-23H,5-6,8H2/t11-,12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol has a molecular weight of 352.35 g/mol, XLogP of -1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 102277499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).