Hydroxyisoleucine

Name: Hydroxyisoleucine (CAS 55399-93-4) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-02T10:10:27Z
Duration: 3 s
Channel: MolGod Scientific
Description: Hydroxyisoleucine (CAS 55399-93-4) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 55399-93-4 · C₆H₁₃NO₃ · MW 147.17 g/mol

Full record: Hydroxyisoleucine — Safety Data Sheet →

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

🖨️ 3D print model & licenseMolGod_Print3D_1

ENGRAVEDNORMAL

Hydroxyisoleucine (CAS 55399-93-4), C6H13NO3 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL preview

MG_907-383-215-59 · engraved · 268,940 △ · 13 MB · SHA-256 e603fd6faebeda46

Download 3D model: Hydroxyisoleucine, C₆H₁₃NO₃, CAS 55399-93-4 · ENGRAVED (C, H, N, O) · 13 MB

Hydroxyisoleucine (CAS 55399-93-4), C6H13NO3 - 3D ball-and-stick molecular model, MolGod STL preview

MG_907-383-215-59 · normal · 9,568 △ · 467 KB · SHA-256 c38eb6a74254d8b1

Download 3D model: Hydroxyisoleucine, C₆H₁₃NO₃, CAS 55399-93-4 · NORMAL · 467 KB

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About Hydroxyisoleucine

Hydroxyisoleucine is a chemical compound registered under number CAS 55399-93-4, with the molecular formula C₆H₁₃NO₃, and a molar mass of 147.17 g/mol.

The molecule contains 23 atoms connected by 22 chemical bonds. The full systematic IUPAC name of this compound is (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = -2.8 (negative value, a hydrophilic compound), polar surface area PSA = 83.6 Å², 3 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₆H₁₃NO₃
Molar mass	147.17 g/mol
IUPAC	(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid
SMILES	`C[C@@H]([C@H](C)O)[C@@H](C(=O)O)N`
InChIKey	`OSCCDBFHNMXNME-YUPRTTJUSA-N`
logP (XLogP3)	-2.8
PSA	83.6 Å²
HBD / HBA	3 / 4
PubChem CID	CID 6918732 ↗

Scientific literature

Brak articles naukowych dla CAS 55399-93-4 w PubMed / OpenAlex / Semantic Scholar.

Synonyms

Hydroxyisoleucine · (4S)-4-Hydroxy-L-isoleucine · (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid · UNII-4SWT01T54O · (4S)-4-hydroxyisoleucine · 4SWT01T54O · L-Ribonic acid, 2-amino-2,3,5-trideoxy-3-methyl- · CHEBI:79079 · DTXCID20126438 · 4-HYDROXYISOLEUCINE, (+)- · 2-amino-2,3,5-trideoxy-3-methyl-L-ribonic acid · 4-HYDROXYISOLEUCINE (USP-RS) · 4-HYDROXYISOLEUCINE [USP-RS] · RefChem:39069 · 4-HYDROXYISOLEUCINE (CONSTITUENT OF FENUGREEK SEED)

Data sources

📊 PubChem CID 6918732 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

L-Valine CAS 72-18-4 · C5H11NO2 Similar structure · Tanimoto 0.57 (R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate CAS 39961-95-0 · C10H20N2O6 Similar structure · Tanimoto 0.31 N-Acetyl-L-valine CAS 96-81-1 · C7H13NO3 Similar structure · Tanimoto 0.28 Isopropanol CAS 67-63-0 · C3H8O Similar structure · Tanimoto 0.26 Acetic Acid CAS 64-19-7 · C2H4O2 Similar structure · Tanimoto 0.25

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: Hydroxyisoleucine · 55399-93-4
InChIKey: OSCCDBFHNMXNME-YUPRTTJUSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — Hydroxyisoleucine (CAS 55399-93-4)
License & provenance record: Hydroxyisoleucine (CAS 55399-93-4) →
MolGod molecule record: Hydroxyisoleucine →
Source data: PubChem CID 6918732 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): c38eb6a74254d8b14cada7da61f2365e02dca1dc20db0fb100c3dece1fa47abb
MD5 (STL): c2236fa133d65724bc48e3cf40e72206
MolGod Identification Number: MG_907-383-215-59
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: not published yet

📄 Download 3D model: Hydroxyisoleucine, C₆H₁₃NO₃, CAS 55399-93-4 · NORMAL · 467 KB 📄 Download 3D model: Hydroxyisoleucine, C₆H₁₃NO₃, CAS 55399-93-4 · ENGRAVED (C, H, N, O) · 13 MB

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