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

C10H17N3O6 — CID 46885766

IUPAC(2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(CO)nn2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H17N3O6/c1-18-10-9(17)8(16)7(15)6(19-10)3-13-2-5(4-14)11-12-13/h2,6-10,14-17H,3-4H2,1H3/t6-,7+,8+,9-,10-/m1/s1
InChIKeyYYRHVGIDRLQVGZ-SOYHJAILSA-N
MW275.26 g/mol
LogP-2.78
Rot. Bonds4

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

(2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 46885766) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol
PubChem CID46885766
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name(2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(CO)nn2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H17N3O6/c1-18-10-9(17)8(16)7(15)6(19-10)3-13-2-5(4-14)11-12-13/h2,6-10,14-17H,3-4H2,1H3/t6-,7+,8+,9-,10-/m1/s1
InChIKeyYYRHVGIDRLQVGZ-SOYHJAILSA-N
XLogP-2.78
TPSA130.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-2.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol (CID 46885766) is (2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol is CO[C@@H]1O[C@H](Cn2cc(CO)nn2)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol?
The InChIKey is YYRHVGIDRLQVGZ-SOYHJAILSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-18-10-9(17)8(16)7(15)6(19-10)3-13-2-5(4-14)11-12-13/h2,6-10,14-17H,3-4H2,1H3/t6-,7+,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 275.26 g/mol, XLogP of -2.78, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 46885766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).