(5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one

C6H9N3O3 — CID 25188741

IUPAC(5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one
SMILES[N-]=[N+]=N[C@@H](CO)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H9N3O3/c7-9-8-4(3-10)5-1-2-6(11)12-5/h4-5,10H,1-3H2/t4-,5-/m0/s1
InChIKeyUYCJWZBRPMNOLK-WHFBIAKZSA-N
MW171.16 g/mol
LogP0.36
Rot. Bonds3

About (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one

(5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one (PubChem CID 25188741) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one
PubChem CID25188741
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name(5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one
SMILES[N-]=[N+]=N[C@@H](CO)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H9N3O3/c7-9-8-4(3-10)5-1-2-6(11)12-5/h4-5,10H,1-3H2/t4-,5-/m0/s1
InChIKeyUYCJWZBRPMNOLK-WHFBIAKZSA-N
XLogP0.36
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one (CID 25188741) is (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one is [N-]=[N+]=N[C@@H](CO)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one?
The InChIKey is UYCJWZBRPMNOLK-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H9N3O3/c7-9-8-4(3-10)5-1-2-6(11)12-5/h4-5,10H,1-3H2/t4-,5-/m0/s1.
What are the key properties of (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one?
(5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one has a molecular weight of 171.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one is sourced from PubChem (CID 25188741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).