(2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol

C13H16FN3O4 — CID 139575583

IUPAC(2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol
SMILES[N-]=[N+]=NC1C(OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C13H16FN3O4/c14-10-11(16-17-15)13(21-9(6-18)12(10)19)20-7-8-4-2-1-3-5-8/h1-5,9-13,18-19H,6-7H2/t9-,10+,11?,12-,13?/m1/s1
InChIKeyAJDIVGCMQKRWNS-IJLVLRJLSA-N
MW297.29 g/mol
LogP1.30
Rot. Bonds5

About (2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol

(2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol (PubChem CID 139575583) has the molecular formula C13H16FN3O4 and a molecular weight of 297.29 g/mol. Its IUPAC name is (2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol
PubChem CID139575583
Molecular FormulaC13H16FN3O4
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC Name(2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol
SMILES[N-]=[N+]=NC1C(OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C13H16FN3O4/c14-10-11(16-17-15)13(21-9(6-18)12(10)19)20-7-8-4-2-1-3-5-8/h1-5,9-13,18-19H,6-7H2/t9-,10+,11?,12-,13?/m1/s1
InChIKeyAJDIVGCMQKRWNS-IJLVLRJLSA-N
XLogP1.30
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol?
The IUPAC name of (2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol (CID 139575583) is (2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol.
What is the SMILES notation for (2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol?
The canonical SMILES for (2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol is [N-]=[N+]=NC1C(OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1F.
What is the InChIKey of (2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol?
The InChIKey is AJDIVGCMQKRWNS-IJLVLRJLSA-N. The full InChI is InChI=1S/C13H16FN3O4/c14-10-11(16-17-15)13(21-9(6-18)12(10)19)20-7-8-4-2-1-3-5-8/h1-5,9-13,18-19H,6-7H2/t9-,10+,11?,12-,13?/m1/s1.
What are the key properties of (2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol?
(2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol has a molecular weight of 297.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-5-azido-4-fluoro-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 139575583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).