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

C6H11N3O3 — CID 90897969

IUPAC(2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@H]1C[C@@H](O)[C@](CO)(N=[N+]=[N-])O1
InChIInChI=1S/C6H11N3O3/c1-4-2-5(11)6(3-10,12-4)8-9-7/h4-5,10-11H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKeyLDWHPDKIPAZMRL-KVQBGUIXSA-N
MW173.17 g/mol
LogP0.16
Rot. Bonds2

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

(2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol (PubChem CID 90897969) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
PubChem CID90897969
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@H]1C[C@@H](O)[C@](CO)(N=[N+]=[N-])O1
InChIInChI=1S/C6H11N3O3/c1-4-2-5(11)6(3-10,12-4)8-9-7/h4-5,10-11H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKeyLDWHPDKIPAZMRL-KVQBGUIXSA-N
XLogP0.16
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
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

1-[5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 110194722
4-amino-1-[(2S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 54292242
4-amino-1-[(2R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 169068372
[(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol
CID 11074513
ethane;2-ethyl-5-methyloxolane-2,3-diol
CID 177060039
2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
CID 177060045
4-amino-1-[(3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58013899
4-amino-1-[(2R,3R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 59989916
methyl 2-[(2R,3R,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolan-2-yl]acetate
CID 70795420
4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 71503374
(2S,3S,4R,6R)-2-(azidomethyl)-6-methyloxane-3,4-diol
CID 139575508
[[[(2R,3R,5S)-2-(azidomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 59914489

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol (CID 90897969) is (2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol is C[C@H]1C[C@@H](O)[C@](CO)(N=[N+]=[N-])O1.
What is the InChIKey of (2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The InChIKey is LDWHPDKIPAZMRL-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-4-2-5(11)6(3-10,12-4)8-9-7/h4-5,10-11H,2-3H2,1H3/t4-,5+,6+/m0/s1.
What are the key properties of (2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol?
(2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol has a molecular weight of 173.17 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol is sourced from PubChem (CID 90897969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).