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

C6H11N3O5 — CID 135073986

IUPAC(2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol
SMILES[N-]=[N+]=NC(CO)[C@H]1O[C@@H](O)C(O)C1O
InChIInChI=1S/C6H11N3O5/c7-9-8-2(1-10)5-3(11)4(12)6(13)14-5/h2-6,10-13H,1H2/t2?,3?,4?,5-,6-/m1/s1
InChIKeyBFWPUXLMVHSPRI-KZQNILFTSA-N
MW205.17 g/mol
LogP-1.90
Rot. Bonds3

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

(2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol (PubChem CID 135073986) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol
PubChem CID135073986
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name(2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol
SMILES[N-]=[N+]=NC(CO)[C@H]1O[C@@H](O)C(O)C1O
InChIInChI=1S/C6H11N3O5/c7-9-8-2(1-10)5-3(11)4(12)6(13)14-5/h2-6,10-13H,1H2/t2?,3?,4?,5-,6-/m1/s1
InChIKeyBFWPUXLMVHSPRI-KZQNILFTSA-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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Related Compounds

(3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol
CID 142746760
(3aR,5R,6R,6aR)-5-[(1R)-1-azido-2-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 15221396
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R)-5-(1,2,3-trihydroxypropyl)oxolane-2,3,4-triol
CID 22887183
(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67823819
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol (CID 135073986) is (2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol is [N-]=[N+]=NC(CO)[C@H]1O[C@@H](O)C(O)C1O.
What is the InChIKey of (2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol?
The InChIKey is BFWPUXLMVHSPRI-KZQNILFTSA-N. The full InChI is InChI=1S/C6H11N3O5/c7-9-8-2(1-10)5-3(11)4(12)6(13)14-5/h2-6,10-13H,1H2/t2?,3?,4?,5-,6-/m1/s1.
What are the key properties of (2R,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol?
(2R,5R)-5-(1-azido-2-hydroxyethyl)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,5R)-5-(1-azido-2-hydroxyethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 135073986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).