(2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol

C5H9N3O4 — CID 130850376

IUPAC(2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol
SMILES[N-]=[N+]=NC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9N3O4/c6-8-7-1-2-3(9)4(10)5(11)12-2/h2-5,9-11H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyFPNYNARZVKFPAC-TXICZTDVSA-N
MW175.14 g/mol
LogP-1.26
Rot. Bonds2

About (2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol

(2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol (PubChem CID 130850376) has the molecular formula C5H9N3O4 and a molecular weight of 175.14 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol
PubChem CID130850376
Molecular FormulaC5H9N3O4
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name(2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol
SMILES[N-]=[N+]=NC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9N3O4/c6-8-7-1-2-3(9)4(10)5(11)12-2/h2-5,9-11H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyFPNYNARZVKFPAC-TXICZTDVSA-N
XLogP-1.26
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.26
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,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol (CID 130850376) is (2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol is [N-]=[N+]=NC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol?
The InChIKey is FPNYNARZVKFPAC-TXICZTDVSA-N. The full InChI is InChI=1S/C5H9N3O4/c6-8-7-1-2-3(9)4(10)5(11)12-2/h2-5,9-11H,1H2/t2-,3-,4-,5-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol?
(2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol has a molecular weight of 175.14 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 130850376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).