(2R,4R,5S)-5-azidooxane-2,3,4-triol

C5H9N3O4 — CID 58572353

IUPAC(2R,4R,5S)-5-azidooxane-2,3,4-triol
SMILES[N-]=[N+]=N[C@H]1CO[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C5H9N3O4/c6-8-7-2-1-12-5(11)4(10)3(2)9/h2-5,9-11H,1H2/t2-,3+,4?,5+/m0/s1
InChIKeyMRCUMXZQJPAAER-DIOTZICBSA-N
MW175.14 g/mol
LogP-1.26
Rot. Bonds1

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

(2R,4R,5S)-5-azidooxane-2,3,4-triol (PubChem CID 58572353) has the molecular formula C5H9N3O4 and a molecular weight of 175.14 g/mol. Its IUPAC name is (2R,4R,5S)-5-azidooxane-2,3,4-triol.

Molecular Properties

Compound Name(2R,4R,5S)-5-azidooxane-2,3,4-triol
PubChem CID58572353
Molecular FormulaC5H9N3O4
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name(2R,4R,5S)-5-azidooxane-2,3,4-triol
SMILES[N-]=[N+]=N[C@H]1CO[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C5H9N3O4/c6-8-7-2-1-12-5(11)4(10)3(2)9/h2-5,9-11H,1H2/t2-,3+,4?,5+/m0/s1
InChIKeyMRCUMXZQJPAAER-DIOTZICBSA-N
XLogP-1.26
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
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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Related Compounds

(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 54037403
(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 133139298
(3S,3aR,6R,6aR)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90042500
[(3R,4S,5S)-3-acetyloxy-5-azido-2-hydroxyoxan-4-yl] acetate
CID 132937524
2,5-diazidocyclopentan-1-ol
CID 85255446
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
trans-(3R,4R)-3,4-diazidocyclopentan-1-ol
CID 173485365
(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989
(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 10738751
(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-5-azidooxane-2,3,4-triol?
The IUPAC name of (2R,4R,5S)-5-azidooxane-2,3,4-triol (CID 58572353) is (2R,4R,5S)-5-azidooxane-2,3,4-triol.
What is the SMILES notation for (2R,4R,5S)-5-azidooxane-2,3,4-triol?
The canonical SMILES for (2R,4R,5S)-5-azidooxane-2,3,4-triol is [N-]=[N+]=N[C@H]1CO[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of (2R,4R,5S)-5-azidooxane-2,3,4-triol?
The InChIKey is MRCUMXZQJPAAER-DIOTZICBSA-N. The full InChI is InChI=1S/C5H9N3O4/c6-8-7-2-1-12-5(11)4(10)3(2)9/h2-5,9-11H,1H2/t2-,3+,4?,5+/m0/s1.
What are the key properties of (2R,4R,5S)-5-azidooxane-2,3,4-triol?
(2R,4R,5S)-5-azidooxane-2,3,4-triol has a molecular weight of 175.14 g/mol, XLogP of -1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-5-azidooxane-2,3,4-triol is sourced from PubChem (CID 58572353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).