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

C9H14N2O4 — CID 10703824

IUPAC(5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO
InChIInChI=1S/C9H14N2O4/c1-4-2-11-5(3-12)6(13)7(14)8(15)9(11)10-4/h2,5-8,12-15H,3H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyDEEJATCHYXMUSB-OOJXKGFFSA-N
MW214.22 g/mol
LogP-1.51
Rot. Bonds1

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

(5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 10703824) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name(5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID10703824
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO
InChIInChI=1S/C9H14N2O4/c1-4-2-11-5(3-12)6(13)7(14)8(15)9(11)10-4/h2,5-8,12-15H,3H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyDEEJATCHYXMUSB-OOJXKGFFSA-N
XLogP-1.51
TPSA98.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 11311447
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
(1S,2R,3S,4S)-1-(hydroxymethyl)-8-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-2,3,4-triol
CID 102168861
(3R,4S,5R,6S)-1,3,4,5-tetrahydroxy-6-(hydroxymethyl)piperidin-2-one
CID 101158160
(2S,3S,4R)-1-butyl-2-(hydroxymethyl)-5-methylidenepiperidine-3,4-diol
CID 51050496
(6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10878161
(6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol
CID 89038691
(2S,3S,4R)-1-benzyl-2-(hydroxymethyl)-5-methylidenepiperidine-3,4-diol
CID 51050399
4-(1-ethyl-4-methylimidazol-2-yl)piperidine
CID 82463366
2-[(2S,3S,4R)-3,4-dihydroxy-2-(4-methyltriazol-1-yl)hexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71182505
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(trimethylsilylmethyl)piperidine-3,4,5-triol
CID 15218073
methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate
CID 178085008

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of (5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 10703824) is (5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for (5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for (5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is Cc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO.
What is the InChIKey of (5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is DEEJATCHYXMUSB-OOJXKGFFSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-4-2-11-5(3-12)6(13)7(14)8(15)9(11)10-4/h2,5-8,12-15H,3H2,1H3/t5-,6-,7+,8-/m1/s1.
What are the key properties of (5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 214.22 g/mol, XLogP of -1.51, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,8S)-5-(hydroxymethyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 10703824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).