(2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H22N2O9 — CID 90906528

IUPAC(2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C(O)c2nccn21
InChIInChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5?,6-,7-,8+,9?,10?,11-,12?,14+/m1/s1
InChIKeyCSXOUJBOYXGFCL-SNQHKUBVSA-N
MW362.34 g/mol
LogP-3.99
Rot. Bonds4

About (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 90906528) has the molecular formula C14H22N2O9 and a molecular weight of 362.34 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID90906528
Molecular FormulaC14H22N2O9
Molecular Weight362.34 g/mol
Exact Mass362.13
IUPAC Name(2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C(O)c2nccn21
InChIInChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5?,6-,7-,8+,9?,10?,11-,12?,14+/m1/s1
InChIKeyCSXOUJBOYXGFCL-SNQHKUBVSA-N
XLogP-3.99
TPSA177.89 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500362.34
LogP ≤ 5-3.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Launch Full Analysis

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
(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
(2R,3S,4S,5S,6R)-2-[[(5R,6R,7R,8R)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102234346
N-(2-(1-imidazolyl)ethyl)chitosan
CID 141498103
(1S,2R,5R)-2-(1H-imidazol-1-yl)-6,8-dioxabicyclo[3.2.1]octane-4,4-diol
CID 25075951
(5R,6S,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10442761
(5R,6R,7R,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 15305008
9-(Imidazol-1-ylmethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
CID 59343193
CID 59434614
CID 59434614

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 90906528) is (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C(O)c2nccn21.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is CSXOUJBOYXGFCL-SNQHKUBVSA-N. The full InChI is InChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5?,6-,7-,8+,9?,10?,11-,12?,14+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 362.34 g/mol, XLogP of -3.99, 4 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[[7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 90906528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).