(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol

C8H12N2O4 — CID 54218256

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(c2ncc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14-4)8-9-1-2-10-8/h1-2,4-7,11-13H,3H2,(H,9,10)/t4-,5-,6-,7?/m1/s1
InChIKeyQASDITKPBJQYFH-RKEPMNIXSA-N
MW200.19 g/mol
LogP-1.44
Rot. Bonds2

About (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol (PubChem CID 54218256) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol
PubChem CID54218256
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(c2ncc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14-4)8-9-1-2-10-8/h1-2,4-7,11-13H,3H2,(H,9,10)/t4-,5-,6-,7?/m1/s1
InChIKeyQASDITKPBJQYFH-RKEPMNIXSA-N
XLogP-1.44
TPSA98.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-Aminoimidazole Ribonucleoside
CID 448820
5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium
CID 45266696
5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium
CID 44229244
(2R,3R,4R,5S)-2-(5-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46937012
(5S,6S,7R,8R)-5-(Hydroxymethyl)-1,5,6,7,8,8A-hexahydroimidazo[1,2-A]pyridine-6,7,8-triol
CID 49867039
5-amino-1-(beta-D-ribofuranosyl)imidazol-3-ium
CID 134820109
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536737
[(2R,3S,4R,5R)-5-(4-amino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 44229245
[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(1H-imidazol-2-ylamino)oxolan-3-yl] dihydrogen phosphate
CID 53954873
5-Amino-1-ribosylimidazole
CID 54116874
5-Phosphoribosyl-5-aminoimidazole
CID 54185055
Imidazolylglycerol
CID 57094595

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol (CID 54218256) is (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol is OC[C@H]1OC(c2ncc[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol?
The InChIKey is QASDITKPBJQYFH-RKEPMNIXSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14-4)8-9-1-2-10-8/h1-2,4-7,11-13H,3H2,(H,9,10)/t4-,5-,6-,7?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol has a molecular weight of 200.19 g/mol, XLogP of -1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-yl)oxolane-3,4-diol is sourced from PubChem (CID 54218256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).