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

C6H11N3O5 — CID 161396691

IUPAC(2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
SMILES[N-]=[N+]=NC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-1-3-4(11)5(12)6(13,2-10)14-3/h3-5,10-13H,1-2H2/t3-,4-,5-,6+/m0/s1
InChIKeySCEUDJRSQLNFKT-OMMKOOBNSA-N
MW205.17 g/mol
LogP-1.90
Rot. Bonds3

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

(2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 161396691) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID161396691
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name(2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
SMILES[N-]=[N+]=NC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-1-3-4(11)5(12)6(13,2-10)14-3/h3-5,10-13H,1-2H2/t3-,4-,5-,6+/m0/s1
InChIKeySCEUDJRSQLNFKT-OMMKOOBNSA-N
XLogP-1.90
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol (CID 161396691) is (2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol is [N-]=[N+]=NC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is SCEUDJRSQLNFKT-OMMKOOBNSA-N. The full InChI is InChI=1S/C6H11N3O5/c7-9-8-1-3-4(11)5(12)6(13,2-10)14-3/h3-5,10-13H,1-2H2/t3-,4-,5-,6+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol?
(2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 205.17 g/mol, XLogP of -1.90, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 161396691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).