2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol

C11H16N2O5 — CID 3635123

IUPAC2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol
SMILESOCC1OC(Nc2ccccn2)C(O)C(O)C1O
InChIInChI=1S/C11H16N2O5/c14-5-6-8(15)9(16)10(17)11(18-6)13-7-3-1-2-4-12-7/h1-4,6,8-11,14-17H,5H2,(H,12,13)
InChIKeyHWCQCFUPVMSAPA-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.71
Rot. Bonds3

About 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol

2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol (PubChem CID 3635123) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol
PubChem CID3635123
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol
SMILESOCC1OC(Nc2ccccn2)C(O)C(O)C1O
InChIInChI=1S/C11H16N2O5/c14-5-6-8(15)9(16)10(17)11(18-6)13-7-3-1-2-4-12-7/h1-4,6,8-11,14-17H,5H2,(H,12,13)
InChIKeyHWCQCFUPVMSAPA-UHFFFAOYSA-N
XLogP-1.71
TPSA115.07 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol (CID 3635123) is 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol is OCC1OC(Nc2ccccn2)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol?
The InChIKey is HWCQCFUPVMSAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-5-6-8(15)9(16)10(17)11(18-6)13-7-3-1-2-4-12-7/h1-4,6,8-11,14-17H,5H2,(H,12,13).
What are the key properties of 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol has a molecular weight of 256.26 g/mol, XLogP of -1.71, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(pyridin-2-ylamino)oxane-3,4,5-triol is sourced from PubChem (CID 3635123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).