(2R,3S)-3-azidobutane-1,2,4-triol

C4H9N3O3 — CID 101049712

IUPAC(2R,3S)-3-azidobutane-1,2,4-triol
SMILES[N-]=[N+]=N[C@@H](CO)[C@@H](O)CO
InChIInChI=1S/C4H9N3O3/c5-7-6-3(1-8)4(10)2-9/h3-4,8-10H,1-2H2/t3-,4-/m0/s1
InChIKeyWTDMEGHZIYGENC-IMJSIDKUSA-N
MW147.13 g/mol
LogP-0.99
Rot. Bonds4

About (2R,3S)-3-azidobutane-1,2,4-triol

(2R,3S)-3-azidobutane-1,2,4-triol (PubChem CID 101049712) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2R,3S)-3-azidobutane-1,2,4-triol.

Molecular Properties

Compound Name(2R,3S)-3-azidobutane-1,2,4-triol
PubChem CID101049712
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name(2R,3S)-3-azidobutane-1,2,4-triol
SMILES[N-]=[N+]=N[C@@H](CO)[C@@H](O)CO
InChIInChI=1S/C4H9N3O3/c5-7-6-3(1-8)4(10)2-9/h3-4,8-10H,1-2H2/t3-,4-/m0/s1
InChIKeyWTDMEGHZIYGENC-IMJSIDKUSA-N
XLogP-0.99
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.99
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'}

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Related Compounds

(2S,3S)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 58158430
(2R,3R)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 123374963
(3S,4S)-3-azido-4,5-dihydroxypentanal
CID 91421144
(2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol
CID 10375192
(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol
CID 11009289
2-azido-3-ethylpentan-1-ol
CID 152756616
2-azido-3-bromobutane-1,4-diol
CID 72663930
(2S,3S)-2-azido-3-methylpentan-1-ol
CID 130656400
(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol
CID 10976957
(2S,3S,4R)-2-azidodecane-1,3,4-triol
CID 90749727
2-azidooctadecane-1,3,4-triol
CID 14017259
2-azido-3,4-dihydroxybutanoic acid
CID 122531609

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-azidobutane-1,2,4-triol?
The IUPAC name of (2R,3S)-3-azidobutane-1,2,4-triol (CID 101049712) is (2R,3S)-3-azidobutane-1,2,4-triol.
What is the SMILES notation for (2R,3S)-3-azidobutane-1,2,4-triol?
The canonical SMILES for (2R,3S)-3-azidobutane-1,2,4-triol is [N-]=[N+]=N[C@@H](CO)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-3-azidobutane-1,2,4-triol?
The InChIKey is WTDMEGHZIYGENC-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H9N3O3/c5-7-6-3(1-8)4(10)2-9/h3-4,8-10H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (2R,3S)-3-azidobutane-1,2,4-triol?
(2R,3S)-3-azidobutane-1,2,4-triol has a molecular weight of 147.13 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-azidobutane-1,2,4-triol is sourced from PubChem (CID 101049712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).