(2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol

C10H18FN3O3 — CID 59065173

IUPAC(2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
SMILESCC(C)(C)[C@@H]1O[C@H](CF)[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1O
InChIInChI=1S/C10H18FN3O3/c1-10(2,3)9-8(16)7(15)6(13-14-12)5(4-11)17-9/h5-9,15-16H,4H2,1-3H3/t5-,6-,7-,8-,9-/m1/s1
InChIKeyUVOUNMGTNLRINT-JGKVKWKGSA-N
MW247.27 g/mol
LogP1.17
Rot. Bonds2

About (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol

(2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol (PubChem CID 59065173) has the molecular formula C10H18FN3O3 and a molecular weight of 247.27 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
PubChem CID59065173
Molecular FormulaC10H18FN3O3
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC Name(2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
SMILESCC(C)(C)[C@@H]1O[C@H](CF)[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1O
InChIInChI=1S/C10H18FN3O3/c1-10(2,3)9-8(16)7(15)6(13-14-12)5(4-11)17-9/h5-9,15-16H,4H2,1-3H3/t5-,6-,7-,8-,9-/m1/s1
InChIKeyUVOUNMGTNLRINT-JGKVKWKGSA-N
XLogP1.17
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
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 (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol (CID 59065173) is (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol is CC(C)(C)[C@@H]1O[C@H](CF)[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
The InChIKey is UVOUNMGTNLRINT-JGKVKWKGSA-N. The full InChI is InChI=1S/C10H18FN3O3/c1-10(2,3)9-8(16)7(15)6(13-14-12)5(4-11)17-9/h5-9,15-16H,4H2,1-3H3/t5-,6-,7-,8-,9-/m1/s1.
What are the key properties of (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
(2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol has a molecular weight of 247.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol is sourced from PubChem (CID 59065173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).