(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol

C6H11N3O4 — CID 130936452

IUPAC(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
SMILESCOC1O[C@H](CO)[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H11N3O4/c1-12-6-4(8-9-7)5(11)3(2-10)13-6/h3-6,10-11H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyIDFFSXQBWJOKCG-JDJSBBGDSA-N
MW189.17 g/mol
LogP-0.61
Rot. Bonds3

About (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol

(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol (PubChem CID 130936452) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
PubChem CID130936452
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
SMILESCOC1O[C@H](CO)[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H11N3O4/c1-12-6-4(8-9-7)5(11)3(2-10)13-6/h3-6,10-11H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyIDFFSXQBWJOKCG-JDJSBBGDSA-N
XLogP-0.61
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
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

(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
(3S,4R,6S)-5-azido-4-butoxy-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 89468055
(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794
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,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918421
(3S,6S)-4-azido-2-(hydroxymethyl)-6-propan-2-yloxane-3,5-diol
CID 70914870
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol
CID 23730207
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol
CID 132600593
[(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 (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol?
The IUPAC name of (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol (CID 130936452) is (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol is COC1O[C@H](CO)[C@@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol?
The InChIKey is IDFFSXQBWJOKCG-JDJSBBGDSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-12-6-4(8-9-7)5(11)3(2-10)13-6/h3-6,10-11H,2H2,1H3/t3-,4-,5-,6?/m1/s1.
What are the key properties of (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol?
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol has a molecular weight of 189.17 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol is sourced from PubChem (CID 130936452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).