(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol

C14H18N4O5 — CID 156620421

IUPAC(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1n1cc(-c2cccnc2)nn1
InChIInChI=1S/C14H18N4O5/c1-22-14-11(13(21)12(20)10(7-19)23-14)18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12-,13-,14+/m1/s1
InChIKeyGWSVVXWGZNVVOP-ITGHMWBKSA-N
MW322.32 g/mol
LogP-1.03
Rot. Bonds4

About (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol

(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol (PubChem CID 156620421) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol
PubChem CID156620421
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1n1cc(-c2cccnc2)nn1
InChIInChI=1S/C14H18N4O5/c1-22-14-11(13(21)12(20)10(7-19)23-14)18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12-,13-,14+/m1/s1
InChIKeyGWSVVXWGZNVVOP-ITGHMWBKSA-N
XLogP-1.03
TPSA122.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol (CID 156620421) is (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol is CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1n1cc(-c2cccnc2)nn1.
What is the InChIKey of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol?
The InChIKey is GWSVVXWGZNVVOP-ITGHMWBKSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-22-14-11(13(21)12(20)10(7-19)23-14)18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12-,13-,14+/m1/s1.
What are the key properties of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol?
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol has a molecular weight of 322.32 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yltriazol-1-yl)oxane-3,4-diol is sourced from PubChem (CID 156620421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).