(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol

C12H14N4O4 — CID 42604705

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H14N4O4/c17-6-9-10(18)11(19)12(20-9)16-5-8(14-15-16)7-3-1-2-4-13-7/h1-5,9-12,17-19H,6H2/t9-,10-,11-,12-/m1/s1
InChIKeyVCZMSGJDWISHDQ-DDHJBXDOSA-N
MW278.27 g/mol
LogP-1.05
Rot. Bonds3

About (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol (PubChem CID 42604705) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol
PubChem CID42604705
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H14N4O4/c17-6-9-10(18)11(19)12(20-9)16-5-8(14-15-16)7-3-1-2-4-13-7/h1-5,9-12,17-19H,6H2/t9-,10-,11-,12-/m1/s1
InChIKeyVCZMSGJDWISHDQ-DDHJBXDOSA-N
XLogP-1.05
TPSA113.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(4-pyridin-3-yltriazol-1-yl)oxane-3,4,5-triol
CID 57393888
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol
CID 57393889
(3S,3aR,6S,6aR)-6-(4-pyridin-2-yltriazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 11867584
[(2R,3R,6S)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
CID 54639061
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxolane-3,4-diol
CID 44425905
4-(4-Fluorophenyl)-1-|A-D-ribofuranosyl-1H-1,2,3-triazole
CID 44444757
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol
CID 44590198
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-2-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885335
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-3-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885373
(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol
CID 46885868
(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol
CID 46885908
[(2R,3R,6R)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
CID 54639058

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol (CID 42604705) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol?
The InChIKey is VCZMSGJDWISHDQ-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H14N4O4/c17-6-9-10(18)11(19)12(20-9)16-5-8(14-15-16)7-3-1-2-4-13-7/h1-5,9-12,17-19H,6H2/t9-,10-,11-,12-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol has a molecular weight of 278.27 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-yltriazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 42604705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).