(2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol

C6H10FN3O4 — CID 135075284

IUPAC(2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol
SMILES[N-]=[N+]=NCC(F)[C@H]1O[C@@H](O)C(O)C1O
InChIInChI=1S/C6H10FN3O4/c7-2(1-9-10-8)5-3(11)4(12)6(13)14-5/h2-6,11-13H,1H2/t2?,3?,4?,5-,6-/m1/s1
InChIKeyDRRODQLPZBHHTN-KZQNILFTSA-N
MW207.16 g/mol
LogP-0.93
Rot. Bonds3

About (2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol

(2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol (PubChem CID 135075284) has the molecular formula C6H10FN3O4 and a molecular weight of 207.16 g/mol. Its IUPAC name is (2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol
PubChem CID135075284
Molecular FormulaC6H10FN3O4
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name(2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol
SMILES[N-]=[N+]=NCC(F)[C@H]1O[C@@H](O)C(O)C1O
InChIInChI=1S/C6H10FN3O4/c7-2(1-9-10-8)5-3(11)4(12)6(13)14-5/h2-6,11-13H,1H2/t2?,3?,4?,5-,6-/m1/s1
InChIKeyDRRODQLPZBHHTN-KZQNILFTSA-N
XLogP-0.93
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
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,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol (CID 135075284) is (2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol is [N-]=[N+]=NCC(F)[C@H]1O[C@@H](O)C(O)C1O.
What is the InChIKey of (2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol?
The InChIKey is DRRODQLPZBHHTN-KZQNILFTSA-N. The full InChI is InChI=1S/C6H10FN3O4/c7-2(1-9-10-8)5-3(11)4(12)6(13)14-5/h2-6,11-13H,1H2/t2?,3?,4?,5-,6-/m1/s1.
What are the key properties of (2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol?
(2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol has a molecular weight of 207.16 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(2-azido-1-fluoroethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 135075284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).