(5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

C8H12N2O4 — CID 15305008

IUPAC(5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESOC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)c2nccn21
InChIInChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6-,7-/m1/s1
InChIKeyRZRDQZQPTISYKY-DBRKOABJSA-N
MW200.19 g/mol
LogP-1.81
Rot. Bonds1

About (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

(5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 15305008) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name(5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID15305008
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESOC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)c2nccn21
InChIInChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6-,7-/m1/s1
InChIKeyRZRDQZQPTISYKY-DBRKOABJSA-N
XLogP-1.81
TPSA98.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol with MolForge

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Related Compounds

Imidazole-Derived Cellobiose
CID 657137
(5r,6r,7s,8r)-5-(Hydroxymethyl)-5,6,7,8-Tetrahydroimidazo[1,2-A]pyridine-6,7,8-Triol
CID 10013016
(5R,6R,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10130386
5-(Hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 69323450
(6S,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10464728
5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-ol
CID 10374525
(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 156010086
Xylose-Derived Imidazole
CID 445615
(2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol
CID 5289600
sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate
CID 156010085
sodium (5S,6R,7S,8R)-6,7,8-trihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate
CID 156016156
sodium (5S,6S,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate
CID 156022073

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 15305008) is (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)c2nccn21.
What is the InChIKey of (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is RZRDQZQPTISYKY-DBRKOABJSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6-,7-/m1/s1.
What are the key properties of (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
(5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 200.19 g/mol, XLogP of -1.81, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 15305008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).