2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid

C10H14N2O6 — CID 11402658

IUPAC2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO
InChIInChI=1S/C10H14N2O6/c13-3-5-7(16)8(17)9(18)10-11-4(1-6(14)15)2-12(5)10/h2,5,7-9,13,16-18H,1,3H2,(H,14,15)/t5-,7-,8+,9-/m1/s1
InChIKeyFOWXVHLJDQDRHS-BUJSFMDZSA-N
MW258.23 g/mol
LogP-2.19
Rot. Bonds3

About 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid

2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 11402658) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID11402658
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO
InChIInChI=1S/C10H14N2O6/c13-3-5-7(16)8(17)9(18)10-11-4(1-6(14)15)2-12(5)10/h2,5,7-9,13,16-18H,1,3H2,(H,14,15)/t5-,7-,8+,9-/m1/s1
InChIKeyFOWXVHLJDQDRHS-BUJSFMDZSA-N
XLogP-2.19
TPSA136.04 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-2.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid with MolForge

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Related Compounds

2-((5R,6S,7R,8S)-8-acetamido-6,7-dihydroxy-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 10266740
(5R,6R,7S,8S)-2-(3,3-dimethylbutyl)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11380575
2-(3,3-Dimethylbutyl)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 67206574
(5R,6R,7S,8S)-5-Hydroxymethyl-2-n-octyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11472439
2-((5R,6R,7R,8S)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 24808481
5-(Hydroxymethyl)-2-octyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 72974915
Imidazoleacetic acid riboside
CID 440569
Nagstatine
CID 56840986
(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 11241999
methyl 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
CID 11254281
Nagstatin
CID 102209473
Imidazo(1,2-a)pyridine-3-acetic acid, 8-(acetylamino)-5,6,7,8-tetrahydro-6,7-dihydroxy-5-(hydroxymethyl)-
CID 130905

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid (CID 11402658) is 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid is O=C(O)Cc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO.
What is the InChIKey of 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is FOWXVHLJDQDRHS-BUJSFMDZSA-N. The full InChI is InChI=1S/C10H14N2O6/c13-3-5-7(16)8(17)9(18)10-11-4(1-6(14)15)2-12(5)10/h2,5,7-9,13,16-18H,1,3H2,(H,14,15)/t5-,7-,8+,9-/m1/s1.
What are the key properties of 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 258.23 g/mol, XLogP of -2.19, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 11402658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).