(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol

C5H9N3O3 — CID 151447306

IUPAC(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=N[C@H]1C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H9N3O3/c6-8-7-5-1-3(10)4(2-9)11-5/h3-5,9-10H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyPFTILNMDTFERLZ-UOWFLXDJSA-N
MW159.14 g/mol
LogP-0.24
Rot. Bonds2

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

(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 151447306) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol
PubChem CID151447306
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=N[C@H]1C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H9N3O3/c6-8-7-5-1-3(10)4(2-9)11-5/h3-5,9-10H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyPFTILNMDTFERLZ-UOWFLXDJSA-N
XLogP-0.24
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.24
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

(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol
CID 167005677
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
CID 59996261
CID 59996261
CID 59914550
CID 59914550
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
2-(hydroxymethyl)-5-sulfanyloxolan-3-ol
CID 123868889

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol (CID 151447306) is (2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol is [N-]=[N+]=N[C@H]1C[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is PFTILNMDTFERLZ-UOWFLXDJSA-N. The full InChI is InChI=1S/C5H9N3O3/c6-8-7-5-1-3(10)4(2-9)11-5/h3-5,9-10H,1-2H2/t3-,4-,5-/m1/s1.
What are the key properties of (2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 159.14 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 151447306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).