(2S)-4-azidopentane-1,2,5-triol

C5H11N3O3 — CID 11829740

IUPAC(2S)-4-azidopentane-1,2,5-triol
SMILES[N-]=[N+]=NC(CO)C[C@H](O)CO
InChIInChI=1S/C5H11N3O3/c6-8-7-4(2-9)1-5(11)3-10/h4-5,9-11H,1-3H2/t4?,5-/m0/s1
InChIKeyRTJDZTPLJQLOLJ-AKGZTFGVSA-N
MW161.16 g/mol
LogP-0.60
Rot. Bonds5

About (2S)-4-azidopentane-1,2,5-triol

(2S)-4-azidopentane-1,2,5-triol (PubChem CID 11829740) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S)-4-azidopentane-1,2,5-triol.

Molecular Properties

Compound Name(2S)-4-azidopentane-1,2,5-triol
PubChem CID11829740
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name(2S)-4-azidopentane-1,2,5-triol
SMILES[N-]=[N+]=NC(CO)C[C@H](O)CO
InChIInChI=1S/C5H11N3O3/c6-8-7-4(2-9)1-5(11)3-10/h4-5,9-11H,1-3H2/t4?,5-/m0/s1
InChIKeyRTJDZTPLJQLOLJ-AKGZTFGVSA-N
XLogP-0.60
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
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 (2S)-4-azidopentane-1,2,5-triol 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

5-azidopentane-1,2,4-triol
CID 90777098
2-azido-4-methylsulfanylbutan-1-ol
CID 130004794
(2R,3S)-3-azidobutane-1,2,4-triol
CID 101049712
3-azidopentane
CID 19966832
(2S)-5-azidopentane-1,2-diol
CID 22854627
3-azidopentanedioic acid
CID 150148119
2-azido-3,4-dihydroxybutanoic acid
CID 122531609
(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol
CID 11053274
2-azido-3-bromobutane-1,4-diol
CID 72663930
2-azido-3-ethylpentan-1-ol
CID 152756616
2-azido-3-hydroxypropanoic acid
CID 54415353
6-(propylamino)hexane-1,2,4,5-tetrol
CID 123530064

Frequently Asked Questions

What is the IUPAC name of (2S)-4-azidopentane-1,2,5-triol?
The IUPAC name of (2S)-4-azidopentane-1,2,5-triol (CID 11829740) is (2S)-4-azidopentane-1,2,5-triol.
What is the SMILES notation for (2S)-4-azidopentane-1,2,5-triol?
The canonical SMILES for (2S)-4-azidopentane-1,2,5-triol is [N-]=[N+]=NC(CO)C[C@H](O)CO.
What is the InChIKey of (2S)-4-azidopentane-1,2,5-triol?
The InChIKey is RTJDZTPLJQLOLJ-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H11N3O3/c6-8-7-4(2-9)1-5(11)3-10/h4-5,9-11H,1-3H2/t4?,5-/m0/s1.
What are the key properties of (2S)-4-azidopentane-1,2,5-triol?
(2S)-4-azidopentane-1,2,5-triol has a molecular weight of 161.16 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-azidopentane-1,2,5-triol is sourced from PubChem (CID 11829740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).