(2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol

C13H16N2O5 — CID 59859718

IUPAC(2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1c1coc2c(N)ccnc12
InChIInChI=1S/C13H16N2O5/c1-18-13-10(17)8(4-16)20-11(13)6-5-19-12-7(14)2-3-15-9(6)12/h2-3,5,8,10-11,13,16-17H,4H2,1H3,(H2,14,15)/t8-,10-,11+,13-/m1/s1
InChIKeyFZRRMZICBBXLEH-GMTLJSCSSA-N
MW280.28 g/mol
LogP0.22
Rot. Bonds3

About (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol

(2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol (PubChem CID 59859718) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
PubChem CID59859718
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1c1coc2c(N)ccnc12
InChIInChI=1S/C13H16N2O5/c1-18-13-10(17)8(4-16)20-11(13)6-5-19-12-7(14)2-3-15-9(6)12/h2-3,5,8,10-11,13,16-17H,4H2,1H3,(H2,14,15)/t8-,10-,11+,13-/m1/s1
InChIKeyFZRRMZICBBXLEH-GMTLJSCSSA-N
XLogP0.22
TPSA110.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol (CID 59859718) is (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol is CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1c1coc2c(N)ccnc12.
What is the InChIKey of (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol?
The InChIKey is FZRRMZICBBXLEH-GMTLJSCSSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-18-13-10(17)8(4-16)20-11(13)6-5-19-12-7(14)2-3-15-9(6)12/h2-3,5,8,10-11,13,16-17H,4H2,1H3,(H2,14,15)/t8-,10-,11+,13-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol?
(2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol has a molecular weight of 280.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol is sourced from PubChem (CID 59859718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).