4-azido-6-(hydroxymethyl)oxane-2,3,5-triol

C6H11N3O5 — CID 12775534

IUPAC4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
SMILES[N-]=[N+]=NC1C(O)C(O)OC(CO)C1O
InChIInChI=1S/C6H11N3O5/c7-9-8-3-4(11)2(1-10)14-6(13)5(3)12/h2-6,10-13H,1H2
InChIKeyKFJSKWBEWBTBDI-UHFFFAOYSA-N
MW205.17 g/mol
LogP-1.90
Rot. Bonds2

About 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol

4-azido-6-(hydroxymethyl)oxane-2,3,5-triol (PubChem CID 12775534) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol.

Molecular Properties

Compound Name4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
PubChem CID12775534
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
SMILES[N-]=[N+]=NC1C(O)C(O)OC(CO)C1O
InChIInChI=1S/C6H11N3O5/c7-9-8-3-4(11)2(1-10)14-6(13)5(3)12/h2-6,10-13H,1H2
InChIKeyKFJSKWBEWBTBDI-UHFFFAOYSA-N
XLogP-1.90
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
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,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol
CID 124636003
(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol
CID 140821044
(2S,4R)-4-azido-2-[(3R,5R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
CID 118679943
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(3S,6S)-4-azido-2-(hydroxymethyl)-6-propan-2-yloxane-3,5-diol
CID 70914870
2-[(2R,3R,4R,5S,6R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170170074
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
[(2R,3R,4S,5S,6R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 24858318

Frequently Asked Questions

What is the IUPAC name of 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol?
The IUPAC name of 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol (CID 12775534) is 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol.
What is the SMILES notation for 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol?
The canonical SMILES for 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol is [N-]=[N+]=NC1C(O)C(O)OC(CO)C1O.
What is the InChIKey of 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol?
The InChIKey is KFJSKWBEWBTBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O5/c7-9-8-3-4(11)2(1-10)14-6(13)5(3)12/h2-6,10-13H,1H2.
What are the key properties of 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol?
4-azido-6-(hydroxymethyl)oxane-2,3,5-triol has a molecular weight of 205.17 g/mol, XLogP of -1.90, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-6-(hydroxymethyl)oxane-2,3,5-triol is sourced from PubChem (CID 12775534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).