Basic information
- CAS
18968-05-3- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
SHBHJRVMGYVXKK-XVIXHAIJSA-N- Molecular formula
- C14H20O10
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.10564683
Names & identifiers
- Preferred name
- beta-D-Mannopyranose, 1,3,4,6-tetraacetate
- IUPAC
- [(2R,3R,4R,5S,6S)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
- English name
- 1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose
- Molecular formula
- C14H20O10
- Molecular weight
- 348.3
Names & synonyms
18968-05-3beta-D-Mannopyranose, 1,3,4,6-tetraacetateRefChem:1079667606-186-51,3,4,6-Tetra-O-acetyl-beta-d-mannopyranose(2S,3S,4R,5R,6R)-6-(Acetoxymethyl)-3-hydroxytetrahydro-2H-pyran-2,4,5-triyl triacetate1,3,4,6-Tetra-o-acetyl-b-D-mannopyranoseMFCD000123541,3,4,6-Tetra-O-acetyl-|A-D-mannopyranose[(2R,3R,4R,5S,6S)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate1,3,4,6-Tetra-O-acetyl-?-D-mannopyranose1,3,4,6-Tetra-O-acetylhexopyranose #
Show more names
1,3,4,6-Tetra-OO-acetyl-ββ-D-Mannopyranose 1,3,4,6-tetraacetate1,3,4,6-Tetraacetate β-D-Mannopyranose1,3,4,6-Tetra-O-acetyl-β-D-maopyranose1,3,4,6-Tetra-O-acetyl-?D-mannopyranose1,3,4,6-O-Tetraacetyl-β-D-Mannopyranoseβ-d-mannopyranose 1,3,4,6-tetra-o-acetate1,3,4,6-TETRA-O-ACETYL-SS-D-MANNOPYRANOSE
b-D-Mannopyranose,1,3,4,6-tetraacetateb-D-Mannopyranose 1,3,4,6-tetra-O-acetate1,3,4,6-tetra-O-acetyl-beta-D-mannopyra-noseorb2941936SCHEMBL3190848DTXSID80428485TSW-00095AKOS022176185
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 502
Physicochemical properties
- Melting point
- 160 · 160-161 °C(lit.)
- Boiling point
- 425.5 · 425.5±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- refractive index
- -22.5 ° · -22.5 ° (C=1.4, CHCl3)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- very faint turbidity in Chloroform
- form
- powder to crystal
- pka
- 12.22 · 12.22±0.70(Predicted)
- color
- White to Almost white
- optical activity
- 19 · [α]19/D 68°, c = 0.7 in pyridine
- BRN
- 96634 · 96634
- InChI
- InChI=1/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12-,13-,14-/s3
- InChIKey
- SHBHJRVMGYVXKK-XVIXHAIJSA-N
- SMILES
- [C@@H]1(OC(=O)C)[C@@H](COC(=O)C)O[C@@H](OC(=O)C)[C@@H](O)[C@H]1OC(=O)C |&1:0,5,12,17,19,r|
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
- 29400090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,3,4,6-Tetra-o-acetyl-beta-d-mannopyranose is an intermediate in the preparation of precursors of 2-[18F]fluoro-2-deoxy-D-glucose for diagnostic use in positron emission tomography.
Upstream & downstream products
Upstream raw materials
Suppliers89 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海凯森斯生物科技有限公司18616988519 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…