(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol

C6H11N3O3 — CID 167005677

IUPAC(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol
SMILES[N-]=[N+]=NC1CO[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C6H11N3O3/c7-9-8-4-1-5(11)6(2-10)12-3-4/h4-6,10-11H,1-3H2/t4?,5-,6+/m0/s1
InChIKeyFHFUAQTXVZFISI-DUAGOPDLSA-N
MW173.17 g/mol
LogP-0.19
Rot. Bonds2

About (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol

(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol (PubChem CID 167005677) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol
PubChem CID167005677
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol
SMILES[N-]=[N+]=NC1CO[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C6H11N3O3/c7-9-8-4-1-5(11)6(2-10)12-3-4/h4-6,10-11H,1-3H2/t4?,5-,6+/m0/s1
InChIKeyFHFUAQTXVZFISI-DUAGOPDLSA-N
XLogP-0.19
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

beta-D-galactopyranosyl azide
CID 16213748
2-Azido-2-deoxy-D-glucose
CID 23583211
alpha-D-Mannopyranosyl azide
CID 54011468
1-Deoxyglucosamine
CID 169430
(2R,3R,4R,5S)-5-azido-2-(hydroxymethyl)oxane-3,4-diol
CID 22810407
(R)-2-Azidomethyl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
CID 44335369
(2R,3R,4R,5S,6R)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44354474
(2S,3R,4R,5S,6R)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44354475
Galactopyranosyl azide
CID 54011469
Deoxygalactosamine
CID 22862057
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
CID 57186326
beta-D-Glucopyranosyl azide
CID 11074507

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol (CID 167005677) is (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol is [N-]=[N+]=NC1CO[C@H](CO)[C@@H](O)C1.
What is the InChIKey of (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol?
The InChIKey is FHFUAQTXVZFISI-DUAGOPDLSA-N. The full InChI is InChI=1S/C6H11N3O3/c7-9-8-4-1-5(11)6(2-10)12-3-4/h4-6,10-11H,1-3H2/t4?,5-,6+/m0/s1.
What are the key properties of (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol?
(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol has a molecular weight of 173.17 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 167005677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).