(2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane

C18H18N6O — CID 22867509

IUPAC(2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane
SMILES[N-]=[N+]=N[C@@H](Cc1ccccc1)[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C18H18N6O/c19-23-21-15(11-13-7-3-1-4-8-13)17-18(25-17)16(22-24-20)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-,17-,18+/m0/s1
InChIKeyDOKOGUIMIUVJTI-XLAORIBOSA-N
MW334.38 g/mol
LogP4.60
Rot. Bonds8

About (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane

(2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane (PubChem CID 22867509) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane.

Molecular Properties

Compound Name(2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane
PubChem CID22867509
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane
SMILES[N-]=[N+]=N[C@@H](Cc1ccccc1)[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C18H18N6O/c19-23-21-15(11-13-7-3-1-4-8-13)17-18(25-17)16(22-24-20)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-,17-,18+/m0/s1
InChIKeyDOKOGUIMIUVJTI-XLAORIBOSA-N
XLogP4.60
TPSA110.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane?
The IUPAC name of (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane (CID 22867509) is (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane.
What is the SMILES notation for (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane?
The canonical SMILES for (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane is [N-]=[N+]=N[C@@H](Cc1ccccc1)[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)N=[N+]=[N-].
What is the InChIKey of (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane?
The InChIKey is DOKOGUIMIUVJTI-XLAORIBOSA-N. The full InChI is InChI=1S/C18H18N6O/c19-23-21-15(11-13-7-3-1-4-8-13)17-18(25-17)16(22-24-20)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-,17-,18+/m0/s1.
What are the key properties of (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane?
(2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane has a molecular weight of 334.38 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-bis[(1S)-1-azido-2-phenylethyl]oxirane is sourced from PubChem (CID 22867509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).