(2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol

C10H19N3O3 — CID 59078197

IUPAC(2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol
SMILESC[C@@H]1O[C@@H](C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)[C@H]1O
InChIInChI=1S/C10H19N3O3/c1-5-7(14)8(15)6(12-13-11)9(16-5)10(2,3)4/h5-9,14-15H,1-4H3/t5-,6+,7-,8-,9+/m0/s1
InChIKeyNIFRQJSIBOWBLA-QKAWAISNSA-N
MW229.28 g/mol
LogP1.22
Rot. Bonds1

About (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol

(2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol (PubChem CID 59078197) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol
PubChem CID59078197
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol
SMILESC[C@@H]1O[C@@H](C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)[C@H]1O
InChIInChI=1S/C10H19N3O3/c1-5-7(14)8(15)6(12-13-11)9(16-5)10(2,3)4/h5-9,14-15H,1-4H3/t5-,6+,7-,8-,9+/m0/s1
InChIKeyNIFRQJSIBOWBLA-QKAWAISNSA-N
XLogP1.22
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.22
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,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol (CID 59078197) is (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol is C[C@@H]1O[C@@H](C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol?
The InChIKey is NIFRQJSIBOWBLA-QKAWAISNSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-5-7(14)8(15)6(12-13-11)9(16-5)10(2,3)4/h5-9,14-15H,1-4H3/t5-,6+,7-,8-,9+/m0/s1.
What are the key properties of (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol?
(2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol has a molecular weight of 229.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6S)-5-azido-6-tert-butyl-2-methyloxane-3,4-diol is sourced from PubChem (CID 59078197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).