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

C6H11N3O2 — CID 140536388

IUPAC[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@@H](N=[N+]=[N-])[C@@H](CO)O1
InChIInChI=1S/C6H11N3O2/c1-4-2-5(8-9-7)6(3-10)11-4/h4-6,10H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKeyOYABMWCYSNHVHC-KVQBGUIXSA-N
MW157.17 g/mol
LogP0.83
Rot. Bonds2

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

[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol (PubChem CID 140536388) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol
PubChem CID140536388
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@@H](N=[N+]=[N-])[C@@H](CO)O1
InChIInChI=1S/C6H11N3O2/c1-4-2-5(8-9-7)6(3-10)11-4/h4-6,10H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKeyOYABMWCYSNHVHC-KVQBGUIXSA-N
XLogP0.83
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 59967386
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
(2S,3S,4R,6R)-2-(azidomethyl)-6-methyloxane-3,4-diol
CID 139575508
CID 161264357
CID 161264357
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 54037403
(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol
CID 151447306
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol
CID 16679756
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol (CID 140536388) is [(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol is C[C@H]1C[C@@H](N=[N+]=[N-])[C@@H](CO)O1.
What is the InChIKey of [(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol?
The InChIKey is OYABMWCYSNHVHC-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4-2-5(8-9-7)6(3-10)11-4/h4-6,10H,2-3H2,1H3/t4-,5+,6+/m0/s1.
What are the key properties of [(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol?
[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol has a molecular weight of 157.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 140536388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).