(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol

C8H12N2O4 — CID 10536017

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12N2O4/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10/h1-2,4-8,11-13H,3H2/t5-,6-,7-,8-/m1/s1
InChIKeyOSXKGBYOHKSONO-WCTZXXKLSA-N
MW200.19 g/mol
LogP-1.51
Rot. Bonds2

About (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol (PubChem CID 10536017) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol
PubChem CID10536017
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12N2O4/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10/h1-2,4-8,11-13H,3H2/t5-,6-,7-,8-/m1/s1
InChIKeyOSXKGBYOHKSONO-WCTZXXKLSA-N
XLogP-1.51
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol (CID 10536017) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol is OC[C@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol?
The InChIKey is OSXKGBYOHKSONO-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10/h1-2,4-8,11-13H,3H2/t5-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol has a molecular weight of 200.19 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol is sourced from PubChem (CID 10536017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).