(2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol

C18H35N3O2 — CID 138969701

IUPAC(2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol
SMILESCCCCCCCCCCCCCC[C@@H]1OC[C@H](N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C18H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(22)16(15-23-17)20-21-19/h16-18,22H,2-15H2,1H3/t16-,17-,18+/m0/s1
InChIKeyAYFZBRBRVNYXKT-OKZBNKHCSA-N
MW325.50 g/mol
LogP5.52
Rot. Bonds14

About (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol

(2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol (PubChem CID 138969701) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol
PubChem CID138969701
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name(2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol
SMILESCCCCCCCCCCCCCC[C@@H]1OC[C@H](N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C18H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(22)16(15-23-17)20-21-19/h16-18,22H,2-15H2,1H3/t16-,17-,18+/m0/s1
InChIKeyAYFZBRBRVNYXKT-OKZBNKHCSA-N
XLogP5.52
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol?
The IUPAC name of (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol (CID 138969701) is (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol?
The canonical SMILES for (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol is CCCCCCCCCCCCCC[C@@H]1OC[C@H](N=[N+]=[N-])[C@H]1O.
What is the InChIKey of (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol?
The InChIKey is AYFZBRBRVNYXKT-OKZBNKHCSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(22)16(15-23-17)20-21-19/h16-18,22H,2-15H2,1H3/t16-,17-,18+/m0/s1.
What are the key properties of (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol?
(2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol has a molecular weight of 325.50 g/mol, XLogP of 5.52, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-azido-2-tetradecyloxolan-3-ol is sourced from PubChem (CID 138969701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).