beta-D-Galactopyranose, 1-thio-, 2,3,4,6-tetraacetate
Basic information
- CAS
50615-66-2- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
SFOZKJGZNOBSHF-HTOAHKCRSA-N- Molecular formula
- C14H20O9S
- Average molar mass
- 364.37 g/mol
- Monoisotopic mass
- 364.08280338
Names & identifiers
- Preferred name
- beta-D-Galactopyranose, 1-thio-, 2,3,4,6-tetraacetate
- IUPAC
- [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
- English name
- 2,3,4,6-Tetra-O-acetyl-b-D-thiogalactopyranose
- Molecular formula
- C14H20O9S
- Molecular weight
- 364.37
Names & synonyms
50615-66-2RefChem:1079648beta-D-Galactopyranose, 1-thio-, 2,3,4,6-tetraacetate(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-mercaptotetrahydro-2H-pyran-3,4,5-triyl triacetate2,3,4,6-Tetra-O-acetyl-b-D-thiogalactopyranoseMFCD010761852,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GALACTOPYRANOSE[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methyl acetateC14H20O9SSCHEMBL1582644CHEMBL2018435DTXSID30455226
Show more names
Auranofin Impurity 32,3,4,6-Tetra-O-acetyl-β-D-thiogalactopyranoseb-D-Galactopyranose,1-thio-,2,3,4,6-tetraacetate2,3,4,6-Tetra-O-acetyl-1-thio-β-D-galactopyranoseβ-D-Galactopyranose, 1-thio-, 2,3,4,6-tetraacetate2,3,4,6-Tetra-O-acetyl-1-thio-β-D-galactopyranoside2,3,4,6-Tetra-O-acetyl-beta-D-1-thioglacatopyranoside(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-sulfanyloxan-2-yl]methyl acetate
AKOS016011641DS-6279MT06688(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-mercaptotetrahydro-2H-pyran-3,4,5-triyltriacetateSY379847DB-160630CS-0155030C75372
Database identifiers
- CAS
50615-66-2- PubChem CID
- 11100577
- DTXSID
DTXSID30455226- ChEMBL
CHEMBL2018435- Nikkaji
- J1.155.675B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Melting point
- 83 °C · 83 °C
- Boiling point
- 425.5 · 425.5±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.42 · 8.42±0.70(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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