(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol

C5H9N3O3 — CID 54037403

IUPAC(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=N[C@H]1CO[C@H](CO)[C@H]1O
InChIInChI=1S/C5H9N3O3/c6-8-7-3-2-11-4(1-9)5(3)10/h3-5,9-10H,1-2H2/t3-,4+,5-/m0/s1
InChIKeyVSLOXBBNXPSFOT-LMVFSUKVSA-N
MW159.14 g/mol
LogP-0.58
Rot. Bonds2

About (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 54037403) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
PubChem CID54037403
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=N[C@H]1CO[C@H](CO)[C@H]1O
InChIInChI=1S/C5H9N3O3/c6-8-7-3-2-11-4(1-9)5(3)10/h3-5,9-10H,1-2H2/t3-,4+,5-/m0/s1
InChIKeyVSLOXBBNXPSFOT-LMVFSUKVSA-N
XLogP-0.58
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 ≤ 5-0.58
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'}

Analyze (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R,5S)-5-azidooxane-2,3,4-triol
CID 58572353
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol
CID 129103368
(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol
CID 167005677
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 133139298
(3S,3aR,6R,6aR)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90042500
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
CID 156818460
2,5-diazidocyclopentan-1-ol
CID 85255446
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
[(2S,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 59967386
[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 140536388

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol (CID 54037403) is (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol is [N-]=[N+]=N[C@H]1CO[C@H](CO)[C@H]1O.
What is the InChIKey of (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is VSLOXBBNXPSFOT-LMVFSUKVSA-N. The full InChI is InChI=1S/C5H9N3O3/c6-8-7-3-2-11-4(1-9)5(3)10/h3-5,9-10H,1-2H2/t3-,4+,5-/m0/s1.
What are the key properties of (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 159.14 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 54037403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).