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

C4H8N6O2 — CID 11095077

IUPAC(2R,3R)-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-/m0/s1
InChIKeyKGPIPUJSXQUJDI-IMJSIDKUSA-N
MW172.15 g/mol
LogP0.33
Rot. Bonds5

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

(2R,3R)-2,3-diazidobutane-1,4-diol (PubChem CID 11095077) has the molecular formula C4H8N6O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is (2R,3R)-2,3-diazidobutane-1,4-diol.

Molecular Properties

Compound Name(2R,3R)-2,3-diazidobutane-1,4-diol
PubChem CID11095077
Molecular FormulaC4H8N6O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name(2R,3R)-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-/m0/s1
InChIKeyKGPIPUJSXQUJDI-IMJSIDKUSA-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'}

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Related Compounds

3,4-Diazidobutan-1-ol
CID 10103374
2,3-Diazidopropanol
CID 12916747
2,3-Diazidobutane-1,4-diol
CID 71340862
(2R)-2-diazenylbutane-1,4-diol
CID 89371111
(2S,3S)-2,3-diazidobutane-1,4-diol
CID 11105812
2-Azido-4-methoxybutan-1-ol
CID 152706531

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-diazidobutane-1,4-diol?
The IUPAC name of (2R,3R)-2,3-diazidobutane-1,4-diol (CID 11095077) is (2R,3R)-2,3-diazidobutane-1,4-diol.
What is the SMILES notation for (2R,3R)-2,3-diazidobutane-1,4-diol?
The canonical SMILES for (2R,3R)-2,3-diazidobutane-1,4-diol is [N-]=[N+]=N[C@@H](CO)[C@H](CO)N=[N+]=[N-].
What is the InChIKey of (2R,3R)-2,3-diazidobutane-1,4-diol?
The InChIKey is KGPIPUJSXQUJDI-IMJSIDKUSA-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-/m0/s1.
What are the key properties of (2R,3R)-2,3-diazidobutane-1,4-diol?
(2R,3R)-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 (2R,3R)-2,3-diazidobutane-1,4-diol is sourced from PubChem (CID 11095077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).