Basic information
- CAS
13242-53-0- Standard SMILES
CC(=O)OC[C@H]1O[C@H](Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
CYAYKKUWALRRPA-DGTMBMJNSA-N- Molecular formula
- C14H19BrO9
- Average molar mass
- 411.2 g/mol
- Monoisotopic mass
- 410.02124
Names & identifiers
- Preferred name
- alpha-D-Mannopyranosyl bromide, 2,3,4,6-tetraacetate
- IUPAC
- [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
- English name
- 2,3,4,6-Tetra-O-acetyl-alpha-D-mannopyranosyl bromide
- Molecular formula
- C14H19BrO9
- Molecular weight
- 411.2
Names & synonyms
13242-53-0alpha-D-Mannopyranosyl bromide, 2,3,4,6-tetraacetateRefChem:10764922,3,4,6-tetra-o-acetyl-alpha-d-mannopyranosyl bromideMFCD00190698Acetobromomannose(2R,3R,4S,5S,6R)-2-(acetoxymethyl)-6-bromotetrahydro-2H-pyran-3,4,5-triyl triacetate[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetateBromo 2,3,4,6-Tetra-O-acetyl-a-D-mannopyranoside(Stabilized with 4% CaCO3)1-Bromo-2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranoseBromo 2,3,4,6-Tetra-O-acetyl-alpha-D-mannopyranoside(Stabilized with 4per cent CaCO3)Tetra-O-acetyl-alpha-D-mannosyl bromide
Show more names
-D-mannopyranosyl bromidealpha-D-AcetobromomannoseACETOBROMO-ALPHA-D-MANNOSE2,3,4,6-Tetra-O-acetyl-ùMannopyranosyl Bromide TetraacetateTetra-O-acetyl-a-D-mannopyranosyl Bromide2,3,4,6-tetra-O-acetyl-1-Bromo-α-D-mannose
[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-bromooxan-2-yl]methyl acetateSCHEMBL143602(Stabilized with 4% CaCO3)DTXSID40454088AKOS027326677GS-5958MT087772,3,4,6-Tetra-O-acetyl-a-D-mannopyranosyl bromide - stabilised with 2% CaCO3
Database identifiers
- CAS
13242-53-0- PubChem CID
- 11069632
- DTXSID
DTXSID40454088- Nikkaji
- J81.578K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Melting point
- 60 · 60-61°C
- Boiling point
- 412 · 412.0±45.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Yellow to Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P301+P312-P330
- HS Code
- 2938909090 · 2938909090
Safety & regulation
Hazard information
Regulatory Information.alpha.-D-Mannopyranosyl bromide, tetraacetate: Does not have an individual approval but may be used under an appropriate group standard
Regulatory information
Regulatory Information.alpha.-D-Mannopyranosyl bromide, tetraacetate: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- hs_code
- 2938909090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P301+P312-P330
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
2 records
Compound notes
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