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

C9H15N3O6 — CID 44620947

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol
SMILESOCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8-,9-/m1/s1
InChIKeyBHGZOVXPACYZLI-SYHAXYEDSA-N
MW261.23 g/mol
LogP-3.26
Rot. Bonds3

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol (PubChem CID 44620947) has the molecular formula C9H15N3O6 and a molecular weight of 261.23 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol
PubChem CID44620947
Molecular FormulaC9H15N3O6
Molecular Weight261.23 g/mol
Exact Mass261.10
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol
SMILESOCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8-,9-/m1/s1
InChIKeyBHGZOVXPACYZLI-SYHAXYEDSA-N
XLogP-3.26
TPSA141.09 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-3.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Related Compounds

(2R,3S,4R,5S,6S)-2-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-6-methyloxane-3,4,5-triol
CID 118722980
(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
(3S,3aR,6R,6aR)-3-[4-(methoxymethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 11886652
(2R,3R,4S,5R,6R)-2-(4-butyltriazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46885378
(2R,3R,4S,5S,6R)-2-[4-(dodecoxymethyl)triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122187582
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol
CID 25169395
1-I(2)-D-Ribofuranosyl-1H-1,2,3-triazole-4-methanol
CID 44444754
|A-Methyl-1-|A-D-ribofuranosyl-1H-1,2,3-triazole-4-methanol
CID 44444755
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-((1-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-tetrahydro-2H-pyran-3,4,5-triol
CID 44587045
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol
CID 44632571
sodium 1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazole-4-carboxylate
CID 46232679

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol (CID 44620947) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol is OCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol?
The InChIKey is BHGZOVXPACYZLI-SYHAXYEDSA-N. The full InChI is InChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8-,9-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol has a molecular weight of 261.23 g/mol, XLogP of -3.26, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol is sourced from PubChem (CID 44620947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).