[(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol

C7H13N3O3 — CID 141449391

IUPAC[(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol
SMILES[2H]CO[C@@H]1C[C@@H](N=[N+]=[N-])CO[C@@H]1CO
InChIInChI=1S/C7H13N3O3/c1-12-6-2-5(9-10-8)4-13-7(6)3-11/h5-7,11H,2-4H2,1H3/t5-,6-,7-/m1/s1/i1D
InChIKeyPPTKPQDBQJCNPX-DUBNRSKDSA-N
MW188.21 g/mol
LogP0.46
Rot. Bonds4

About [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol

[(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol (PubChem CID 141449391) has the molecular formula C7H13N3O3 and a molecular weight of 188.21 g/mol. Its IUPAC name is [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol
PubChem CID141449391
Molecular FormulaC7H13N3O3
Molecular Weight188.21 g/mol
Exact Mass188.10
IUPAC Name[(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol
SMILES[2H]CO[C@@H]1C[C@@H](N=[N+]=[N-])CO[C@@H]1CO
InChIInChI=1S/C7H13N3O3/c1-12-6-2-5(9-10-8)4-13-7(6)3-11/h5-7,11H,2-4H2,1H3/t5-,6-,7-/m1/s1/i1D
InChIKeyPPTKPQDBQJCNPX-DUBNRSKDSA-N
XLogP0.46
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol
CID 123348073
(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol
CID 167005677
[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 174001100
(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 54037403
[(2S,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 59967386
[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 140536388
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol
CID 151447306
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
CID 100993548
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
[(2R,3R,4S,5R)-3,6-diacetyloxy-4-azido-5-(deuteriomethoxy)oxan-2-yl]methyl acetate
CID 155570810

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol?
The IUPAC name of [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol (CID 141449391) is [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol is [2H]CO[C@@H]1C[C@@H](N=[N+]=[N-])CO[C@@H]1CO.
What is the InChIKey of [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol?
The InChIKey is PPTKPQDBQJCNPX-DUBNRSKDSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-12-6-2-5(9-10-8)4-13-7(6)3-11/h5-7,11H,2-4H2,1H3/t5-,6-,7-/m1/s1/i1D.
What are the key properties of [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol?
[(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol has a molecular weight of 188.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 141449391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).