(2R,3S)-2-(azidomethyl)oxan-3-ol

C6H11N3O2 — CID 51032465

IUPAC(2R,3S)-2-(azidomethyl)oxan-3-ol
SMILES[N-]=[N+]=NC[C@H]1OCCC[C@@H]1O
InChIInChI=1S/C6H11N3O2/c7-9-8-4-6-5(10)2-1-3-11-6/h5-6,10H,1-4H2/t5-,6+/m0/s1
InChIKeyLARQLRIDIQQNPR-NTSWFWBYSA-N
MW157.17 g/mol
LogP0.84
Rot. Bonds2

About (2R,3S)-2-(azidomethyl)oxan-3-ol

(2R,3S)-2-(azidomethyl)oxan-3-ol (PubChem CID 51032465) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2R,3S)-2-(azidomethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(azidomethyl)oxan-3-ol
PubChem CID51032465
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(2R,3S)-2-(azidomethyl)oxan-3-ol
SMILES[N-]=[N+]=NC[C@H]1OCCC[C@@H]1O
InChIInChI=1S/C6H11N3O2/c7-9-8-4-6-5(10)2-1-3-11-6/h5-6,10H,1-4H2/t5-,6+/m0/s1
InChIKeyLARQLRIDIQQNPR-NTSWFWBYSA-N
XLogP0.84
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
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-(azidomethyl)oxan-3-ol?
The IUPAC name of (2R,3S)-2-(azidomethyl)oxan-3-ol (CID 51032465) is (2R,3S)-2-(azidomethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S)-2-(azidomethyl)oxan-3-ol?
The canonical SMILES for (2R,3S)-2-(azidomethyl)oxan-3-ol is [N-]=[N+]=NC[C@H]1OCCC[C@@H]1O.
What is the InChIKey of (2R,3S)-2-(azidomethyl)oxan-3-ol?
The InChIKey is LARQLRIDIQQNPR-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-9-8-4-6-5(10)2-1-3-11-6/h5-6,10H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (2R,3S)-2-(azidomethyl)oxan-3-ol?
(2R,3S)-2-(azidomethyl)oxan-3-ol has a molecular weight of 157.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(azidomethyl)oxan-3-ol is sourced from PubChem (CID 51032465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).