(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol

C8H17N3O4 — CID 10976957

IUPAC(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol
SMILESCCOC(OCC)[C@H](O)[C@H](CO)N=[N+]=[N-]
InChIInChI=1S/C8H17N3O4/c1-3-14-8(15-4-2)7(13)6(5-12)10-11-9/h6-8,12-13H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyDZDJZSNHUBPMPE-NKWVEPMBSA-N
MW219.24 g/mol
LogP0.42
Rot. Bonds8

About (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol

(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol (PubChem CID 10976957) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol
PubChem CID10976957
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol
SMILESCCOC(OCC)[C@H](O)[C@H](CO)N=[N+]=[N-]
InChIInChI=1S/C8H17N3O4/c1-3-14-8(15-4-2)7(13)6(5-12)10-11-9/h6-8,12-13H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyDZDJZSNHUBPMPE-NKWVEPMBSA-N
XLogP0.42
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2S,3R)-2-azido-4,4-diethoxybutane-1,3-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

3-azido-1,1-diethoxybutan-2-ol
CID 14604202
(2S,3S)-2-azido-3-methylpentan-1-ol
CID 130656400
(2R,3S)-3-azidobutane-1,2,4-triol
CID 101049712
2-azido-3-ethylpentan-1-ol
CID 152756616
(2S,3S,4R)-2-azidodecane-1,3,4-triol
CID 90749727
2-azidooctadecane-1,3,4-triol
CID 14017259
(3S)-2-[(2S)-2-azido-1,3-dihydroxypropoxy]butane-1,3-diol
CID 90352756
(2S,3S)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 58158430
(2R,3R)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 123374963
2-azido-1-(4-methoxyphenyl)propane-1,3-diol
CID 121485278
2-azido-3-bromobutane-1,4-diol
CID 72663930
(3S,4R)-2-azido-5-(4-methylphenyl)pentane-1,3,4-triol
CID 134389500

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol?
The IUPAC name of (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol (CID 10976957) is (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol?
The canonical SMILES for (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol is CCOC(OCC)[C@H](O)[C@H](CO)N=[N+]=[N-].
What is the InChIKey of (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol?
The InChIKey is DZDJZSNHUBPMPE-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H17N3O4/c1-3-14-8(15-4-2)7(13)6(5-12)10-11-9/h6-8,12-13H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol?
(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol has a molecular weight of 219.24 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol is sourced from PubChem (CID 10976957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).