(2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol

C13H21N3O5 — CID 66553252

IUPAC(2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol
SMILESO[C@@H]1[C@H](O)[C@@H](Cn2cc(C3(O)CCCCC3)nn2)O[C@H]1O
InChIInChI=1S/C13H21N3O5/c17-10-8(21-12(19)11(10)18)6-16-7-9(14-15-16)13(20)4-2-1-3-5-13/h7-8,10-12,17-20H,1-6H2/t8-,10-,11-,12-/m1/s1
InChIKeyYAOXBKKSJFLLIV-HJQYOEGKSA-N
MW299.33 g/mol
LogP-1.13
Rot. Bonds3

About (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol

(2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol (PubChem CID 66553252) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol
PubChem CID66553252
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name(2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol
SMILESO[C@@H]1[C@H](O)[C@@H](Cn2cc(C3(O)CCCCC3)nn2)O[C@H]1O
InChIInChI=1S/C13H21N3O5/c17-10-8(21-12(19)11(10)18)6-16-7-9(14-15-16)13(20)4-2-1-3-5-13/h7-8,10-12,17-20H,1-6H2/t8-,10-,11-,12-/m1/s1
InChIKeyYAOXBKKSJFLLIV-HJQYOEGKSA-N
XLogP-1.13
TPSA120.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol (CID 66553252) is (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol is O[C@@H]1[C@H](O)[C@@H](Cn2cc(C3(O)CCCCC3)nn2)O[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol?
The InChIKey is YAOXBKKSJFLLIV-HJQYOEGKSA-N. The full InChI is InChI=1S/C13H21N3O5/c17-10-8(21-12(19)11(10)18)6-16-7-9(14-15-16)13(20)4-2-1-3-5-13/h7-8,10-12,17-20H,1-6H2/t8-,10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol?
(2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol has a molecular weight of 299.33 g/mol, XLogP of -1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-[[4-(1-hydroxycyclohexyl)triazol-1-yl]methyl]oxolane-2,3,4-triol is sourced from PubChem (CID 66553252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).