(2R,3S)-2-azido-3-hydroxyhexanoic acid

C6H11N3O3 — CID 101025142

IUPAC(2R,3S)-2-azido-3-hydroxyhexanoic acid
SMILESCCC[C@H](O)[C@@H](N=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H11N3O3/c1-2-3-4(10)5(6(11)12)8-9-7/h4-5,10H,2-3H2,1H3,(H,11,12)/t4-,5+/m0/s1
InChIKeyHXRXKCMFQQZELU-CRCLSJGQSA-N
MW173.17 g/mol
LogP0.91
Rot. Bonds5

About (2R,3S)-2-azido-3-hydroxyhexanoic acid

(2R,3S)-2-azido-3-hydroxyhexanoic acid (PubChem CID 101025142) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R,3S)-2-azido-3-hydroxyhexanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-azido-3-hydroxyhexanoic acid
PubChem CID101025142
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(2R,3S)-2-azido-3-hydroxyhexanoic acid
SMILESCCC[C@H](O)[C@@H](N=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H11N3O3/c1-2-3-4(10)5(6(11)12)8-9-7/h4-5,10H,2-3H2,1H3,(H,11,12)/t4-,5+/m0/s1
InChIKeyHXRXKCMFQQZELU-CRCLSJGQSA-N
XLogP0.91
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-azido-3-hydroxyhexanoic acid?
The IUPAC name of (2R,3S)-2-azido-3-hydroxyhexanoic acid (CID 101025142) is (2R,3S)-2-azido-3-hydroxyhexanoic acid.
What is the SMILES notation for (2R,3S)-2-azido-3-hydroxyhexanoic acid?
The canonical SMILES for (2R,3S)-2-azido-3-hydroxyhexanoic acid is CCC[C@H](O)[C@@H](N=[N+]=[N-])C(=O)O.
What is the InChIKey of (2R,3S)-2-azido-3-hydroxyhexanoic acid?
The InChIKey is HXRXKCMFQQZELU-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-2-3-4(10)5(6(11)12)8-9-7/h4-5,10H,2-3H2,1H3,(H,11,12)/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-2-azido-3-hydroxyhexanoic acid?
(2R,3S)-2-azido-3-hydroxyhexanoic acid has a molecular weight of 173.17 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-azido-3-hydroxyhexanoic acid is sourced from PubChem (CID 101025142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).