(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol

C11H19N3O6 — CID 46885979

IUPAC(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol
SMILESOCCCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C11H19N3O6/c15-3-1-2-6-4-14(13-12-6)11-10(19)9(18)8(17)7(5-16)20-11/h4,7-11,15-19H,1-3,5H2/t7-,8+,9+,10-,11-/m1/s1
InChIKeyBBPLASBVJAQALH-ZKKRXERASA-N
MW289.29 g/mol
LogP-2.82
Rot. Bonds5

About (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol (PubChem CID 46885979) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol
PubChem CID46885979
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol
SMILESOCCCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C11H19N3O6/c15-3-1-2-6-4-14(13-12-6)11-10(19)9(18)8(17)7(5-16)20-11/h4,7-11,15-19H,1-3,5H2/t7-,8+,9+,10-,11-/m1/s1
InChIKeyBBPLASBVJAQALH-ZKKRXERASA-N
XLogP-2.82
TPSA141.09 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-2.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol with MolForge

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Related Compounds

1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole
CID 44620947
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 46885978
4-(Hydroxymethyl)-1-(Alpha-D-Mannopyranosyl)-1h-1,2,3-Triazole
CID 11529039
(2R,3R,4S,5R,6R)-2-(4-butyltriazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46885378
(2R,3R,4S,5R,6R)-2-[(4-butyltriazol-1-yl)methyl]-6-methoxyoxane-3,4,5-triol
CID 46885913
Methyl-3-deoxy-3-(4-propyl-1H-[1,2,3]-triazol-1-yl)-1-thio-beta-D-galactopyranoside
CID 11522330
Triazolyl galactoside
CID 11631088
2-Hydroxymethyl-6-methylsulfanyl-4-(4-propyl-[1,2,3]triazol-1-yl)-tetrahydro-pyran-3,5-diol
CID 44387729
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-octyltriazol-1-yl)oxolane-3,4-diol
CID 25169526
4-Hexyl-1-|A-D-ribofuranosyl-1H-1,2,3-triazole
CID 44444752
4-Octyl-1-|A-D-ribofuranosyl-1H-1,2,3-triazole
CID 44444753
|A-Methyl-1-|A-D-ribofuranosyl-1H-1,2,3-triazole-4-methanol
CID 44444755

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol (CID 46885979) is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol is OCCCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol?
The InChIKey is BBPLASBVJAQALH-ZKKRXERASA-N. The full InChI is InChI=1S/C11H19N3O6/c15-3-1-2-6-4-14(13-12-6)11-10(19)9(18)8(17)7(5-16)20-11/h4,7-11,15-19H,1-3,5H2/t7-,8+,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol has a molecular weight of 289.29 g/mol, XLogP of -2.82, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol is sourced from PubChem (CID 46885979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).