(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol

C11H16N2O4 — CID 170029654

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol
SMILESOC[C@H]1OC[C@@H](Nc2ccncc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H16N2O4/c14-5-9-11(16)10(15)8(6-17-9)13-7-1-3-12-4-2-7/h1-4,8-11,14-16H,5-6H2,(H,12,13)/t8-,9-,10-,11+/m1/s1
InChIKeyRMCYKBTXXLMMLW-DBIOUOCHSA-N
MW240.26 g/mol
LogP-1.02
Rot. Bonds3

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol (PubChem CID 170029654) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol
PubChem CID170029654
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol
SMILESOC[C@H]1OC[C@@H](Nc2ccncc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H16N2O4/c14-5-9-11(16)10(15)8(6-17-9)13-7-1-3-12-4-2-7/h1-4,8-11,14-16H,5-6H2,(H,12,13)/t8-,9-,10-,11+/m1/s1
InChIKeyRMCYKBTXXLMMLW-DBIOUOCHSA-N
XLogP-1.02
TPSA94.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol (CID 170029654) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol is OC[C@H]1OC[C@@H](Nc2ccncc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol?
The InChIKey is RMCYKBTXXLMMLW-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-5-9-11(16)10(15)8(6-17-9)13-7-1-3-12-4-2-7/h1-4,8-11,14-16H,5-6H2,(H,12,13)/t8-,9-,10-,11+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol has a molecular weight of 240.26 g/mol, XLogP of -1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyridin-4-ylamino)oxane-3,4-diol is sourced from PubChem (CID 170029654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).