(3,4,5-Triacetyloxy-6-azidooxan-2-yl)methyl acetate

HCID 4114495

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 13992-25-1
Standard SMILES: CC(=O)OCC1OC(N=[N+]=[N-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: NHNYHKRWHCWHAJ-RKQHYHRCSA-N
Molecular formula: C14H19N3O9
Average molar mass: 373.32 g/mol

Names & identifiers

Preferred name: (3,4,5-Triacetyloxy-6-azidooxan-2-yl)methyl acetate
IUPAC: (3,4,5-triacetyloxy-6-azidooxan-2-yl)methyl acetate
English name: 1-AZIDO-2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOSE
Molecular formula: C14H19N3O9
Molecular weight: 373.32

Names & synonyms

a-D-Glucosyl azide, tetraacetate.(3,4,5-triacetyloxy-6-azidooxan-2-yl)methyl acetate2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl azide20379-61-71-Azido-1-deoxy-b-D-glucopyranoside tetraacetateSCHEMBL13904000NSC272456STL480762AKOS015912681MT04061NSC-272456BS-22680

Show more names

2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl AzideNSC 2724561-Azido-1-deoxy-β-D-glucose peracetate1-AZIDO-2,3,4,6-O-ACETYL-BETA-D-GLUCOSE1-Azido-2,3,4,6-tetra-O-acetyl-D-glucose1-AZIDO-2,3,4,6-TETRA-O-ACETYL-B-D-GLUCOSE1-Azido-2,3,4,6-O-acetyl-beta-D-glucose 98%1-AZIDO-2,3,4,6-TETRA-O-ACETYL-SS-D-GLUCOSE1-AZIDO-2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOSE2,3,4,6-Tetra-O-acetyl-D-glucopyranosyl azide

| cent-D-Mannopyranosyl azide tetraacetateDB-250700.beta.-D-Glucopyranosyl azide,3,4,6-tetraacetatebeta-D-Glucopyranosyl Azide 2,3,4,6-Tetraacetate1-Azido-1-deoxy-b-D-galactopyranoside tetraacetateGlucopyranosyl azide,3,4,6-tetraacetate, .beta.-D-2,3,4,6-Tetra-O-acetyl-| cent-D-mannopyranosyl Azide2-3-4-6-Tetra-O-acetyl-beta-D-galactopyranosyl azide

Database identifiers

CAS: 13992-25-1
PubChem CID: 4114495

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 129 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 11
Rotatable bonds: 10
Heavy atoms: 26
Formal charge: 0
Complexity: 617

Physicochemical properties

Melting point: 127 · 127-131 °C(lit.)
Boiling point: 502.57 °C · 502.57°C (rough estimate)
Density: 1.3271 · 1.3271 (rough estimate)
refractive index: 1.57 · 1.5700 (estimate)
form: crystals
color: White
optical activity: -29 °, · [α]/D -29°, c = 1% in H2O &_& [α]/D -30°, c = 1% in chloroform
CAS DataBase Reference: 13992 · 13992-25-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 2 · 2-11
Safety Statements: 22 · 22-24/25
RIDADR: 1325 · 1325
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29329990 · 29329990

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

wgk: 3
ridadr: 1325
hs_code: 29329990
risk_code: 2-11
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Usesβ-D-Glucopyranosyl Azide 2,3,4,6-Tetraacetate, is an intermediate used for the synthesis of Protein Tyrosine Phosphatase 1B inhibito1. It is used for the preparation of variously coupled conjugates of D-glucose via click chemistry for inhibition of glycogen phosphorylase.

Upstream & downstream products

Upstream raw materials

Downstream products

beta-D-Glucopyranosylamine 1-AZIDO-1-DEOXY-BETA-D-GLUCOPYRANOSIDE

Suppliers84 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

上海凯森斯生物科技有限公司18616988519 · [email protected]

Related reactions

6 records

New reaction record

HRID 152113As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 160637As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1142711As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1240878As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1564931As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2133235As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…