(2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol

C13H21N3O7 — CID 46885977

IUPAC(2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(COCC3CO3)nn2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C13H21N3O7/c1-20-13-12(19)11(18)10(17)9(23-13)3-16-2-7(14-15-16)4-21-5-8-6-22-8/h2,8-13,17-19H,3-6H2,1H3/t8?,9-,10+,11+,12-,13-/m1/s1
InChIKeyUHBRFTPCFFUQFO-PTZRQYDVSA-N
MW331.33 g/mol
LogP-2.35
Rot. Bonds7

About (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol (PubChem CID 46885977) has the molecular formula C13H21N3O7 and a molecular weight of 331.33 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol
PubChem CID46885977
Molecular FormulaC13H21N3O7
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name(2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(COCC3CO3)nn2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C13H21N3O7/c1-20-13-12(19)11(18)10(17)9(23-13)3-16-2-7(14-15-16)4-21-5-8-6-22-8/h2,8-13,17-19H,3-6H2,1H3/t8?,9-,10+,11+,12-,13-/m1/s1
InChIKeyUHBRFTPCFFUQFO-PTZRQYDVSA-N
XLogP-2.35
TPSA131.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol (CID 46885977) is (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol is CO[C@@H]1O[C@H](Cn2cc(COCC3CO3)nn2)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol?
The InChIKey is UHBRFTPCFFUQFO-PTZRQYDVSA-N. The full InChI is InChI=1S/C13H21N3O7/c1-20-13-12(19)11(18)10(17)9(23-13)3-16-2-7(14-15-16)4-21-5-8-6-22-8/h2,8-13,17-19H,3-6H2,1H3/t8?,9-,10+,11+,12-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol has a molecular weight of 331.33 g/mol, XLogP of -2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-methoxy-6-[[4-(oxiran-2-ylmethoxymethyl)triazol-1-yl]methyl]oxane-3,4,5-triol is sourced from PubChem (CID 46885977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).