Basic information
- CAS
3068-34-6- Standard SMILES
CC(=O)NC1C(Cl)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
NAYYKQAWUWXLPD-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO8
- Average molar mass
- 365.76 g/mol
Names & identifiers
- Preferred name
- (5-Acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl)methyl acetate
- IUPAC
- (5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl)methyl acetate
- English name
- 2-Acetamido-2-deoxy-alpha-D-glucopyranosyl chloride 3,4,6-triacetate
- Molecular formula
- C14H20ClNO8
- Molecular weight
- 365.76
Names & synonyms
C14H20ClNO8Chloro 2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-alpha-D-glucopyranoseNSC401827(5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl)methyl acetate2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-?-D-glucopyranosyl chlorideSCHEMBL10036889DTXSID90952923AKOS024351483NSC-401827SB48294LS-14326DB-047836
Show more names
acetochloro-A-D-glucosamine2-acetamido-3,4,6-tri-o-acetyl-2-deoxy-α-d-glucopyranosyl chloride(2R,3S,4R,5R,6R)-5-Acetamido-2-(acetoxymethyl)-6-chlorotetrahydro-2H-pyran-3,4-diyl diacetateα-Acetochloro-D-glucosamineACETOCHLORO-ALPHA-D-GLUCOSAMINEALPHA-ACETOCHLORO-D-GLUCOSAMINE2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-diammonium ruthenium(3+) pentachloride hydrate2-acetamido-2-deoxy-alpha-D-glucopyranosyl chlorN,3,4,6-O-Tetraacetyl-alpha-D-glucosaminyl chloride
ST50976195B2705-1060352-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-D-glucopyranosyl chloride(5-acetamido-3,4-diacetoxy-6-chloro-tetrahydropyran-2-yl)methyl acetate2-acetamido-3,4,6-tri-o-acetyl-2-deoxy-alpha-d-galactopyranosyl chloride3,4,6-Tri-O-acetyl-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl chloride5-(acetylamino)-4-acetyloxy-2-(acetyloxymethyl)-6-chloro-2H-3,4,5,6-tetrahydro pyran-3-yl acetate
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Melting point
- 214 °C · >214 °C (dec.)(lit.)
- Boiling point
- 516.4 · 516.4±50.0 °C(Predicted)
- Density
- 1.32 · 1.32
- refractive index
- 117.5 ° · 117.5 ° (C=1, CHCl3)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform, Methanol
- form
- Solid
- pka
- 13.22 · 13.22±0.70(Predicted)
- color
- White
- optical activity
- 20 · [α]20/D +105°, c = 1 in chloroform
- Stability
- 2 % · Stablizied with 2% Calcium Carbonate
- InChI
- InChI=1/C14H20ClNO8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)/t10-,11-,12-,13-,14+/s3
- InChIKey
- NAYYKQAWUWXLPD-KSTCHIGDSA-N
- SMILES
- [C@@H]1(OC(=O)C)[C@@H](NC(=O)C)[C@H](O[C@H](COC(=O)C)[C@H]1OC(=O)C)Cl |&1:0,5,10,12,18,r|
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 2932990090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
UsesChloro 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-α-D-glucopyranose (cas# 3068-34-6) is a useful reactant in the total synthesis of glycosylated human interferon-γ.
Upstream & downstream products
Downstream products
Suppliers97 total
Related reactions
3 records
Compound notes
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