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

C14H23N3O10 — CID 90354612

IUPAC(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H23N3O10/c18-2-5-7(20)9(22)11(24)13(26-5)4-1-17(16-15-4)14-12(25)10(23)8(21)6(3-19)27-14/h1,5-14,18-25H,2-3H2/t5-,6-,7-,8-,9+,10-,11+,12-,13-,14+/m1/s1
InChIKeyHFUGVAALMYNTST-KYVVSQMLSA-N
MW393.35 g/mol
LogP-5.23
Rot. Bonds4

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

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol (PubChem CID 90354612) has the molecular formula C14H23N3O10 and a molecular weight of 393.35 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol
PubChem CID90354612
Molecular FormulaC14H23N3O10
Molecular Weight393.35 g/mol
Exact Mass393.14
IUPAC Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H23N3O10/c18-2-5-7(20)9(22)11(24)13(26-5)4-1-17(16-15-4)14-12(25)10(23)8(21)6(3-19)27-14/h1,5-14,18-25H,2-3H2/t5-,6-,7-,8-,9+,10-,11+,12-,13-,14+/m1/s1
InChIKeyHFUGVAALMYNTST-KYVVSQMLSA-N
XLogP-5.23
TPSA211.01 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500393.35
LogP ≤ 5-5.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol (CID 90354612) is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol is OC[C@H]1O[C@H](c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)nn2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol?
The InChIKey is HFUGVAALMYNTST-KYVVSQMLSA-N. The full InChI is InChI=1S/C14H23N3O10/c18-2-5-7(20)9(22)11(24)13(26-5)4-1-17(16-15-4)14-12(25)10(23)8(21)6(3-19)27-14/h1,5-14,18-25H,2-3H2/t5-,6-,7-,8-,9+,10-,11+,12-,13-,14+/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol?
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol has a molecular weight of 393.35 g/mol, XLogP of -5.23, 4 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol is sourced from PubChem (CID 90354612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).