(2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol

C9H14N2O5 — CID 13361737

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol
SMILESOC[C@H]1OC(n2ccnc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H14N2O5/c12-3-5-6(13)7(14)8(15)9(16-5)11-2-1-10-4-11/h1-2,4-9,12-15H,3H2/t5-,6-,7+,8-,9?/m1/s1
InChIKeyMFFNQAMHVXENEY-LOFWALOHSA-N
MW230.22 g/mol
LogP-2.14
Rot. Bonds2

About (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol (PubChem CID 13361737) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol
PubChem CID13361737
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol
SMILESOC[C@H]1OC(n2ccnc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H14N2O5/c12-3-5-6(13)7(14)8(15)9(16-5)11-2-1-10-4-11/h1-2,4-9,12-15H,3H2/t5-,6-,7+,8-,9?/m1/s1
InChIKeyMFFNQAMHVXENEY-LOFWALOHSA-N
XLogP-2.14
TPSA107.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol (CID 13361737) is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol is OC[C@H]1OC(n2ccnc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol?
The InChIKey is MFFNQAMHVXENEY-LOFWALOHSA-N. The full InChI is InChI=1S/C9H14N2O5/c12-3-5-6(13)7(14)8(15)9(16-5)11-2-1-10-4-11/h1-2,4-9,12-15H,3H2/t5-,6-,7+,8-,9?/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol has a molecular weight of 230.22 g/mol, XLogP of -2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol is sourced from PubChem (CID 13361737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).