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

C8H12N2O4 — CID 10878161

IUPAC(6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESOCc1cn2c(n1)[C@H](O)[C@@H](O)[C@@H](O)C2
InChIInChI=1S/C8H12N2O4/c11-3-4-1-10-2-5(12)6(13)7(14)8(10)9-4/h1,5-7,11-14H,2-3H2/t5-,6-,7+/m0/s1
InChIKeyZDFPLBUEDZKIFX-LYFYHCNISA-N
MW200.19 g/mol
LogP-1.86
Rot. Bonds1

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

(6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 10878161) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name(6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID10878161
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESOCc1cn2c(n1)[C@H](O)[C@@H](O)[C@@H](O)C2
InChIInChI=1S/C8H12N2O4/c11-3-4-1-10-2-5(12)6(13)7(14)8(10)9-4/h1,5-7,11-14H,2-3H2/t5-,6-,7+/m0/s1
InChIKeyZDFPLBUEDZKIFX-LYFYHCNISA-N
XLogP-1.86
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 ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of (6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 10878161) is (6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for (6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for (6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is OCc1cn2c(n1)[C@H](O)[C@@H](O)[C@@H](O)C2.
What is the InChIKey of (6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is ZDFPLBUEDZKIFX-LYFYHCNISA-N. The full InChI is InChI=1S/C8H12N2O4/c11-3-4-1-10-2-5(12)6(13)7(14)8(10)9-4/h1,5-7,11-14H,2-3H2/t5-,6-,7+/m0/s1.
What are the key properties of (6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
(6S,7S,8S)-2-(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 -1.86, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 10878161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).