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

C18H19N3O4S — CID 25014094

IUPAC(2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](n2cc(CSc3ccc4ccccc4c3)nn2)OC[C@H]1O
InChIInChI=1S/C18H19N3O4S/c22-15-9-25-18(17(24)16(15)23)21-8-13(19-20-21)10-26-14-6-5-11-3-1-2-4-12(11)7-14/h1-8,15-18,22-24H,9-10H2/t15-,16+,17-,18-/m1/s1
InChIKeyAQLHQDCKKPRBJB-XMTFNYHQSA-N
MW373.43 g/mol
LogP1.34
Rot. Bonds4

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

(2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol (PubChem CID 25014094) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol
PubChem CID25014094
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](n2cc(CSc3ccc4ccccc4c3)nn2)OC[C@H]1O
InChIInChI=1S/C18H19N3O4S/c22-15-9-25-18(17(24)16(15)23)21-8-13(19-20-21)10-26-14-6-5-11-3-1-2-4-12(11)7-14/h1-8,15-18,22-24H,9-10H2/t15-,16+,17-,18-/m1/s1
InChIKeyAQLHQDCKKPRBJB-XMTFNYHQSA-N
XLogP1.34
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]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)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol (CID 25014094) is (2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](n2cc(CSc3ccc4ccccc4c3)nn2)OC[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol?
The InChIKey is AQLHQDCKKPRBJB-XMTFNYHQSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-15-9-25-18(17(24)16(15)23)21-8-13(19-20-21)10-26-14-6-5-11-3-1-2-4-12(11)7-14/h1-8,15-18,22-24H,9-10H2/t15-,16+,17-,18-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol?
(2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol has a molecular weight of 373.43 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol is sourced from PubChem (CID 25014094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).