(2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol

C8H13N3O4 — CID 134570601

IUPAC(2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2ccnn2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O4/c12-4-6-8(14)5(13)3-7(15-6)11-2-1-9-10-11/h1-2,5-8,12-14H,3-4H2/t5-,6-,7-,8+/m1/s1
InChIKeyNNWSZELFZIHJRP-XUTVFYLZSA-N
MW215.21 g/mol
LogP-1.72
Rot. Bonds2

About (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol

(2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol (PubChem CID 134570601) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol
PubChem CID134570601
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name(2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2ccnn2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O4/c12-4-6-8(14)5(13)3-7(15-6)11-2-1-9-10-11/h1-2,5-8,12-14H,3-4H2/t5-,6-,7-,8+/m1/s1
InChIKeyNNWSZELFZIHJRP-XUTVFYLZSA-N
XLogP-1.72
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol (CID 134570601) is (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol is OC[C@H]1O[C@@H](n2ccnn2)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol?
The InChIKey is NNWSZELFZIHJRP-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H13N3O4/c12-4-6-8(14)5(13)3-7(15-6)11-2-1-9-10-11/h1-2,5-8,12-14H,3-4H2/t5-,6-,7-,8+/m1/s1.
What are the key properties of (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol?
(2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol has a molecular weight of 215.21 g/mol, XLogP of -1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-2-(hydroxymethyl)-6-(triazol-1-yl)oxane-3,4-diol is sourced from PubChem (CID 134570601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).