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

C7H13N3O3 — CID 123348073

IUPAC[(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol
SMILESCO[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
InChIKeyPPTKPQDBQJCNPX-FSDSQADBSA-N
MW187.20 g/mol
LogP0.46
Rot. Bonds3

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

[(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol (PubChem CID 123348073) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is [(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol
PubChem CID123348073
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name[(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol
SMILESCO[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
InChIKeyPPTKPQDBQJCNPX-FSDSQADBSA-N
XLogP0.46
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
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-(deuteriomethoxy)oxan-2-yl]methanol
CID 141449391
[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 174001100
(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol
CID 167005677
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
(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
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
(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,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol (CID 123348073) is [(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol is CO[C@@H]1C[C@@H](N=[N+]=[N-])CO[C@@H]1CO.
What is the InChIKey of [(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol?
The InChIKey is PPTKPQDBQJCNPX-FSDSQADBSA-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.
What are the key properties of [(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol?
[(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol has a molecular weight of 187.20 g/mol, XLogP of 0.46, 3 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-methoxyoxan-2-yl]methanol is sourced from PubChem (CID 123348073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).