(2S,3S)-2,3-diazidobutane-1,4-diol

C4H8N6O2 — CID 11105812

IUPAC(2S,3S)-2,3-diazidobutane-1,4-diol
SMILES[N-]=[N+]=N[C@H](CO)[C@@H](CO)N=[N+]=[N-]
InChIInChI=1S/C4H8N6O2/c5-9-7-3(1-11)4(2-12)8-10-6/h3-4,11-12H,1-2H2/t3-,4-/m1/s1
InChIKeyKGPIPUJSXQUJDI-QWWZWVQMSA-N
MW172.15 g/mol
LogP0.33
Rot. Bonds5

About (2S,3S)-2,3-diazidobutane-1,4-diol

(2S,3S)-2,3-diazidobutane-1,4-diol (PubChem CID 11105812) has the molecular formula C4H8N6O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is (2S,3S)-2,3-diazidobutane-1,4-diol.

Molecular Properties

Compound Name(2S,3S)-2,3-diazidobutane-1,4-diol
PubChem CID11105812
Molecular FormulaC4H8N6O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name(2S,3S)-2,3-diazidobutane-1,4-diol
SMILES[N-]=[N+]=N[C@H](CO)[C@@H](CO)N=[N+]=[N-]
InChIInChI=1S/C4H8N6O2/c5-9-7-3(1-11)4(2-12)8-10-6/h3-4,11-12H,1-2H2/t3-,4-/m1/s1
InChIKeyKGPIPUJSXQUJDI-QWWZWVQMSA-N
XLogP0.33
TPSA137.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.33
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 (2S,3S)-2,3-diazidobutane-1,4-diol 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

CID 10103374
CID 10103374
CID 12916747
CID 12916747
CID 71340862
CID 71340862
CID 89371111
CID 89371111
CID 11095077
CID 11095077
CID 152706531
CID 152706531

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-diazidobutane-1,4-diol?
The IUPAC name of (2S,3S)-2,3-diazidobutane-1,4-diol (CID 11105812) is (2S,3S)-2,3-diazidobutane-1,4-diol.
What is the SMILES notation for (2S,3S)-2,3-diazidobutane-1,4-diol?
The canonical SMILES for (2S,3S)-2,3-diazidobutane-1,4-diol is [N-]=[N+]=N[C@H](CO)[C@@H](CO)N=[N+]=[N-].
What is the InChIKey of (2S,3S)-2,3-diazidobutane-1,4-diol?
The InChIKey is KGPIPUJSXQUJDI-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H8N6O2/c5-9-7-3(1-11)4(2-12)8-10-6/h3-4,11-12H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (2S,3S)-2,3-diazidobutane-1,4-diol?
(2S,3S)-2,3-diazidobutane-1,4-diol has a molecular weight of 172.15 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-diazidobutane-1,4-diol is sourced from PubChem (CID 11105812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).