Basic information
- CAS
20379-59-3- Standard SMILES
[N-]=[N+]=N[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO- InChIKey
QJDMQMIMGQKBTN-JGWLITMVSA-N- Molecular formula
- C6H11N3O5
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.06987046
Overview
RN given refers to (beta-D)-isomer
Names & identifiers
- Preferred name
- 4-Azido-4-deoxyglucose
- IUPAC
- (2R,3S,4R,5S)-4-azido-2,3,5,6-tetrahydroxyhexanal
- English name
- 1-Azido-1-deoxy-beta-D-glucopyranoside
- Molecular formula
- C6H11N3O5
- Molecular weight
- 205.17
Names & synonyms
4-Azido-4-deoxyglucose4-azido-4-deoxy-D-glucose4-Azido-4-deoxy-beta-D-glucoseRefChem:9791220379-59-3(2R,3S,4R,5S)-4-azido-2,3,5,6-tetrahydroxyhexanal4-Azido-4-deoxyhexoseSCHEMBL22773535DTXSID20942539b-D-Glucopyranosylazideβ-D-Glucopyranosyl azide2-Acetamido-2-deoxy-β1-azido-β-D-glucopyranoside
Show more names
beta-D-Glucopyranosyl azide1-Azido-1-deoxy-β-D-glucoseβ-D-Glucopyranosyl azide ,98%2-(Acetylamino)-2-deoxy-4-O-(&beta
Database identifiers
- CAS
20379-59-3- PubChem CID
- 152302
- DTXSID
DTXSID20942539
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 60 · 60-65 °C(lit.)
- storage temp.
- 20 °C · −20°C
- form
- solid
- pka
- 12.639 · 12.639±0.70(predicted)
- InChI
- 1S/C6H11N3O5/c7-9-8-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2/t2-,3-,4+,5-,6-/m1/s1
- InChIKey
- KSRDTSABQYNYMP-VFUOTHLCSA-N
- SMILES
- OC[C@H]1O[C@@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O
- UNSPSC Code
- 12352201 · 12352201
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- HS Code
- 29329990 · 29329990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29329990
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses1-Azido-1-deoxy-β-D-glucopyranoside can be used as an organic building block to prepare: 1,2,3-triazole-containing (1-azido-1-deoxy-β-D-glucopyranoside) complex by reacting with propagylglycine and sodium ascorbate via copper-catalyzed click chemistry approach. D-glucose-mercaptoacetyl triglycine (MAG3) derivative applicable as a potent tumor diagnosis agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Related reactions
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Compound notes
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